Publications

2024

158. Open Access
Evolution of amorphous ruthenium nanoclusters into stepped truncated nano-pyramids on graphitic surfaces boosts hydrogen production from ammonia.
Chen, Y., Young, B. J., Aliev, G. N., Kordatos, A., Popov, I., Ghaderzadeh, S., Liddy, T., Cull, W. J., Kohlrausch, E. C., Weilhard, A., Hutchings, G. J., Besley, E., Theis, W., Fernandes, J. A. and Khlobystov, A. N.
Chemical Science in press (2024).
157. Nano Letters seed grants, take two.
Odom, T. W., Besley, E., Colvin, V., Dionne, J. A., Herrmann, C., Nie, G., Prieto, A. L., van der Zande, A. M. and Wang, H.
Nano Letters 24, 12011-12013 (2024).
DOI: http://dx.doi.org/10.1021/acs.nanolett.4c03901
156. Open Access
Direct formation of copper nanoparticles from atoms at graphitic step-edges lowers overpotential and improves selectivity of electrocatalytic CO2 reduction.
Burwell, T., Thangamuthu, M., Aliev, G. N., Ghaderzadeh, S., Kohlrausch, E. C., Chen, Y., Theis, W., Norman, L. T., Fernandes, J. A., Besley, E., Licence, P. and Khlobystov, A. N.
Communications Chemistry 7, 140 (2024).
DOI: http://dx.doi.org/10.1038/s42004-024-01218-y
155. Open Access
Strain-modulated defect engineering of two-dimensional materials.
Santra, P., Ghaderzadeh, S., Ghorbani-Asl, M., Komsa, H.-P., Besley, E. and Krasheninnikov, A. V.
npj 2D Materials and Applications 8, 33 (2024).
DOI: http://dx.doi.org/10.1038/s41699-024-00472-x
154. Open Access
Machine learning insights into predicting biogas separation in metal-organic frameworks.
Cooley, I., Boobier, S., Hirst, J. D. and Besley, E.
Communications Chemistry 7, 102 (2024).
DOI: http://dx.doi.org/10.1038/s42004-024-01166-7

This BLOG is written by Dr. Isabel Cooley who completed her PhD in 2023 with Prof. Elena Besley at the University of Nottingham.

153. Open Access

Understanding the electron beam resilience of two-dimensional conjugated metal-organic frameworks.
Mücke, D., Cooley, I., Liang, B., Wang, Z., Park, S. W., Dong, R., Feng, X., Qi, H., Besley, E. and Kaiser, U.
Nano Letters 24, 3014-3020 (2024).
DOI: http://dx.doi.org/10.1021/acs.nanolett.3c04125
152. Open Access

The significance of mulitipole interaction for the stability of regular structures composed from charged particles.
Lindgren, E. B., Avis, H., Miller, A., Stamm, B., Besley, E. and Stace, A. J.
Journal of Colloid and Interface Science 663, 458-466 (2024).
DOI: http://dx.doi.org/10.1016/j.jcis.2024.02.146

2023

151. Open Access

Do residual solvent molecules always hinder gas sorption in metal organic frameworks?
Cooley, I. and Besley, E.
Chemistry of Materials 36, 219-231 (2023).
DOI: http://dx.doi.org/10.1021/acs.chemmater.3c01940
150. Open Access

Electronic structure and d-d spectrum of metal-organic frameworks with transition metal ions.
Popov, I., Raenko, D., Tchougréeff, A. and Besley, E.
Journal of Physical Chemistry C 127, 21749-21757 (2023).
DOI: http://dx.doi.org/10.1021/acs.jpcc.3c05025
149. Open Access

Recent developments in the methods and applications of electrostatic theory.
Besley, E.
Accounts of Chemical Research 56, 2267-2277 (2023).
DOI: http://dx.doi.org/10.1021/acs.accounts.3c00068
148. Open Access

Chemical kinetics of metal single atom and nanocluster formation on surfaces: an example of Pt on hexagonal boron nitride.
Popov, I., Ghaderzadeh, S., Kohlrausch, E. C., Norman, L. T., Slater, T. J. A., Aliev, G. N., Alhabeadi, H., Kaplan, A., Theis, W., Khlobystov, A. N., Fernandes, J. A. and Besley, E.
Nano Letters 23, 8006-8012 (2023).
DOI: http://dx.doi.org/10.1021/acs.nanolett.3c018
147. Open Access

Electroluminescence from a phthalocyanine monolayer encapsulated in a van der Waals tunnel diode.
James, T., Bradford, J., Kerfoot, J., Korolkov, V. V., Alkhamisi, M., Taniguchi, T., Watanabe, K., Nizovtsev, A. S., Antolín, E., Besley, E., Svatek, S. A. and Beton, P. H.
Molecular Physics 121, e2197081 (2023).
DOI: http://dx.doi.org/10.1080/00268976.2023.2197081

Memorial Issue for Nick Besley.

2022

146. Announcing the winner of the inaugural Nano Letters Seed grant program, East Asia region.
Besley, E. and Nuckolls, C.
Nano Letters 22, 6463-6464 (2022).
DOI: http://dx.doi.org/10.1021/acs.nanolett.2c03054
145. Open Access

Manipulating interactions between dielectric particles with electric fields: A general electrostatic many-body framework.
Hassan, M., Williamson, C., Baptiste, J., Braun, S., Stace, A. J., Besley, E. and Stamm, B.
Journal of Chemical Theory and Computation 18, 6281-6296 (2022).
DOI: http://dx.doi.org/10.1021/acs.jctc.2c00008
144. Open Access

Effective Hamiltonian of crystal field method for periodic systems containing transition metals.
Popov, I., Plekhanov, E., Tchougréeff, A. and Besley, E.
Molecular Physics 121, e2106905 (2022).
DOI: http://dx.doi.org/10.1080/00268976.2022.2106905

Peter Gill Festschrift Special Issue.

143. Open Access

Computational predictions for effective separation of Xenon/Krypton gas mixtures in the MFM family of metal-organic frameworks.
Cooley, I., Efford, L. and Besley, E.
Journal of Physical Chemistry C 126, 11475-11486 (2022).
DOI: http://dx.doi.org/10.1021/acs.jpcc.2c02237
142. Probing graphene defect kinetics at millisecond time resolution using direct detection and machine learning.
Huang, C., Allen C., Skowron S., Lobato I., Sasaki T., van Aert S., Besley, E. and Kirkland, A.
Microscopy and Microanalysis 28 (Suppl 1), 1794 - 1796 (2022).
DOI: http://dx.doi.org/10.1017/S1431927622007097
141. Open Access

Designing stable binary endohedral fullerene lattices.
Miller, A., Halstead, M., Besley, E. and Stace, A. J.
Physical Chemistry Chemical Physics 24, 10044-10052 (2022).
DOI: http://dx.doi.org/10.1039/D2CP00196A
140.

Modelling sorption and diffusion behaviour in porous solids.
Glover, J. and Besley, E.
Chapter 4 in Computer Simulation of Porous Materials: Current Approaches and Future Opportunities. Inorganic Materials Series. The Royal Society of Chemistry 2022.

2021

139. Open Access

A high-throughput screening of metal-organic framework based membranes for biogas upgrading.
Glover, J. and Besley, E.
Faraday Discussions 231, 235-257 (2021).
DOI: http://doi.org/10.1039/D1FD00005E

138. Open Access

Theory and modelling: general discussion.
Antypov, D., Ka-Man Au, V., Cooley, I., Coudert, F.-X., D'Alessandro, D. M., Li, Q., Schroder, M., Suyetin, M., Vandichel, M., Yang, S., Zaworotko, M and Besley, E.
Faraday Discussions 231, 258-265 (2021).
DOI: http://doi.org/10.1039/D1FD90057A

137. Open Access
The influence of surface charge on the coalescence of ice and dust particles in the mesosphere and lower thermosphere.
Baptiste, J., Williamson, C., Fox, J., Stace, A. J., Hassan, M., Braun, S., Stamm,B., Mann, I. and Besley, E.
Atmospheric Chemistry and Physics 21, 8735-8745 (2021).
DOI: https://dx.doi.org/10.5194/acp-21-8735-2021
136. Open Access

Fission gas released from molten salt reactor fuel: the case of noble gas short life radioisotopes for radiopharmaceutical application.
Degueldre, C., Dawson, R., Cooley, I. and Besley, E.
Medicine in Novel Technology and Devices 10, 100057 (2021).
DOI: http://doi.org/10.1016/j.medntd.2021.100057

135.

Selective gas uptake and rotational dynamics in a (3,24)-connected metal-organic framework material.
Trenholme, W. J. F., Kolokolov, D. I., Bound, M., Argent, S. P., Gould, J. A., Li J., Barnett, S. A., Blake, A. J., Stepanov, A. G., Besley, E., Easun, T. L., Yang, S. and Schröder, M.
Journal of the American Chemical Society 143, 3348-3358 (2021).
DOI: https://dx.doi.org/10.1021/jacs.0c11202

134.

N-doping enabled defect-engineering of MoS2 for enhanced and selective adsorption of CO2: A DFT approach.
Enujekwu, F. M., Zhang, Y., Ezeh, C. I., Zhao, H., Xu, M., Besley, E., George, M. W., Besley, N. A., Do, H. and Wu, T.
Applied Surface Science 542, 148556 (2021).
DOI: http://dx.doi.org/10.1016/j.apsusc.2020.148556

2020

133.

Molecular quantum rings formed from a π-conjugated macrocycle.
Judd, C. J., Nizovtsev, A. S., Plougmann, R., Kondratuk, D. V., Anderson, H. L., Besley, E. and Saywell, A.
Physical Review Letters 125, 206803 (2020).
DOI: http://dx.doi.org/10.1103/PhysRevLett.125.206803

132.

Porous metal-organic plyhedra: morphology, porosity, and guest binding.
Argent, S. P., da Silva, I., Greenaway, A., Savage, M., Humby, J., Davies, A. J., Nowell, H., Lewis, W., Manuel, P., Tang, C. C., Blake, A. J., George, M. W., Markevich, A. V., Besley, E., Yang, S., Champness, N. R. and Schröder, M.
Inorganic Chemistry 59, 15646-15658 (2020).
DOI: http://dx.doi.org/10.1021/acs.inorgchem.0c01935

131.

Bond dissociation and reactivity of HF and H2O in a nano test tube.
Biskupek, J., Skowron, S. T., Stoppiello, C. T., Rance, G. A., Alom, S., Fung, K. L. Y., Whitby, R. J., Levitt, M. H., Ramasse, Q., Kaiser, U., Besley, E. and Khlobystov, A. N.
ACS Nano 14, 11178-11189 (2020).
DOI: http://dx.doi.org/10.1021/acsnano.0c02661

130.

Open Access
Nanostructuring of the fast ion conductor, lithium nitride.
Tapia-Ruiz, N., Gordon, A. G., Jewell, C. M., Edwards, H. K., Dunnill, C. W., Blackman, J. M., Snape, C. P., Brown, P. D., MacLaren, I., Baldoni, M., Besley, E., Titman, J. J. and Gregory, D. H.
Nature Communications 11, 4492 (2020).
DOI: http://dx.doi.org/10.1038/s41467-020-17951-6

129.

Atomic mechanism of metal crystal nucleus formation in a single-walled carbon nanotube.
Cao, K., Biskupek, J., Stoppiello, C. T., McSweeney, R. L., Chamberlain, T. W., Liu, Z., Suenaga, K., Skowron, S. T., Besley, E., Khlobystov, A. N. and Kaiser, U.
Nature Chemistry 12, 921-928 (2020).
DOI: http://dx.doi.org/10.1038/s41557-020-0538-9

128.

Open Access
Feature Paper
The interaction of hydrogen with the van der Waals crystal ɣ-InSe.
Felton, J., Blundo, E., Ling, S., Glover, J., Kudrynskyi, Z. R., Makarovsky, O., Kovalyuk, Z. D., Besley, E., Walker, G., Polimeni, A. and Patane, A.
Molecules 25, 2526 (2020).
DOI: http://dx.doi.org/10.3390/molecules25112526

This article belongs to the Special Issue "Innovative Materials for Energy Storage".

127.

Noncovalent passivation of supported phosphorene for device applications: from morphology to electronic properties.
Lorenzoni, A., Baldoni, M., Besley, E. and Mercuri, F.
Phys. Chem. Chem. Phys. 22, 12482-12488 (2020).
DOI: http://dx.doi.org/10.1039/D0CP00939C

126. Open Access
Self-assembly behavior of oppositely charged inverse bi-patchy micro-colloids.
Mehr, F. N., Grigoriev, D., Heaton, R., Baptiste, J., Stace, A. J., Puretskiy, N., Besley, E. and Böker, A.
Small 16, 2000442 (2020).
DOI: http://dx.doi.org/10.1002/smll.202000442
125. Electrostatic interactions between spheroidal dielectric particles.
Derbenev, I., Filippov, A., Stace, A. and Besley, E.
Journal of Chemical Physics 152, 024121 (2020).
DOI: http://dx.doi.org/10.1063/1.5129756
124. Imaging an unsupported metal-metal bond in dirhenium molecules at the atomic scale.
Cao, K., Skowron, S. T., Biskupek, J., Stoppiello, C. T., Leist, C., Besley, E., Khlobystov, A. N. and Kaiser, U.
Science Advances 6, eaay5849 (2020).
DOI: http://dx.doi.org/10.1126/sciadv.aay5849
123. Triplet excitation and electroluminescence from a supramolecular monolayer embedded in a boron nitride tunnel barrier.
Svatek, S. A., Kerfoot, J., Summerfield, A., Nizovtsev, A. S., Korolkov, V. V., Taniguchi, T., Watanabe, K., Antolín, E., Besley, E. and Beton, P. H.
Nano Letters 20, 278-283 (2020).
DOI: http://dx.doi.org/10.1021/acs.nanolett.9b03787

2019

122. Interaction between particles with inhomogeneous surface charge distributions: Revising the Coulomb fission of dication molecular clusters.
Filippov, A. V., Chen X., Harris, C., Stace, A. J. and Besley, E.
Journal of Chemical Physics 151, 154113 (2019).
DOI: http://dx.doi.org/10.1063/1.5119347
121. Resonant inelastic X-ray scattering of a Ru photosensitizer: Insights from individual ligands to the electronic structure of the complete molecule.
Temperton, R. H., Skowron, S. T., Handrup, K., Gibson, A. J., Nicolaou, A., Jaouen, N., Besley, E. and O'Shea, J. N.
Journal of Chemical Physics 151, 074701 (2019).
DOI: http://dx.doi.org/10.1063/1.5114692
120. Ordering, flexibility and frustration in arrays of porphyrin nanorings.
Summerfield A., Baldoni, M., Kondratuk, D. V., Anderson, H. L., Whitelam, S., Garrahan, J. P., Besley, E. and Beton, P. H.
Nature Communications 10, 2932 (2019).
DOI: http://dx.doi.org/10.1038/s41467-019-11009-y

Nature Reviews Physics published the Research Highlight "A pack of rings" on this work.

119. Open Access

Epitaxial multilayers of alkanes on two-dimensional black phosphorus as passivating and electrically insulating nanostructures.
Bolognesi, M., Brucale, M., Lorenzoni, A., Prescimone, F., Moschetto, S., Korolkov, V. V., Baldoni, M., Serrano-Ruiz, M., Caporali, M., Mercuri, F., Besley, E., Muccini, M., Peruzzini, M., Beton, P. H. and Toffanin, S.
Nanoscale 11, 17252-17261 (2019).
DOI: http://dx.doi.org/10.1039/C9NR01155B

118. The effects of encapsulation on damage to molecules by electron radiation.
Skowron, S. T., Roberts, S. L., Khlobystov, A. N. and Besley, E.
Micron 120, 96-103 (2019).
DOI: http://dx.doi.org/10.1016/j.micron.2019.02.007
117. Steric and electronic control of 1,3-dipolar cycloaddition reactions in carbon nanotube nanoreactors.
Miners, S. A., Fay, M. W., Baldoni, M., Besley, E., Khlobystov, A. N. and Rance, G. A.
Journal of Physical Chemistry C 123, 6294-6302 (2019).
DOI: http://dx.doi.org/10.1021/acs.jpcc.9b01190
116. Open Access
Synthesis and characterisation of rylene diimide dimers using molecular handcuffs.
Yang, L., Langer, P., Davies, E. S., Baldoni, M., Wickham, K., Besley, N. A., Besley, E. and Champness, N.
Edge Article, Chemical Science 10, 3723-3732 (2019).
DOI: http://dx.doi.org/10.1039/C9SC00167K

2018

115. The adsorption of hexacontane on hexagonal boron nitride.
Albar, J. D., Korolkov, V. V., Baldoni, M., Watanabe, K., Taniguchi, T., Besley, E. and Beton, P. H.
Journal of Physical Chemistry C 122, 27575-27581 (2018).
DOI: http://dx.doi.org/10.1021/acs.jpcc.8b10167
114. Atomistic simulations of the efficiency of Ge and Pt ion implantation into graphene.
Åhlgren, E. H., Markevich, A. and Besley, E.
Journal of Physical Chemistry C 122, 25700-25708 (2018).
DOI: http://dx.doi.org/10.1021/acs.jpcc.8b07306
113. Pore-filling contamination in metal-organic frameworks.
Glover, J. and Besley, E.
Phys. Chem. Chem. Phys. 20, 23616-23624 (2018).
DOI: http://dx.doi.org/10.1039/C8CP04769C
112. Open Access
The growth and fluorescence of phthalocyanine monolayers, thin films and multilayers on hexagonal boron nitride.
Alkhamisi, M., Korolkov, V. V., Nizovtsev, A. S., Kerfoot, J., Taniguchi, T., Watanabe, K., Besley, N. A., Besley, E. and Beton, P. H.
Chemical Communications 54, 12021-12024 (2018).
DOI: http://dx.doi.org/10.1039/c8cc06304d

This article is part of the themed collection "Scanning probe frontiers in molecular 2D-architecture world".

111.

This paper was one of the most read Nature Communications articles in Chemistry and Materials Science in 2018.

Comparison of atomic scale dynamics for the middle and late transition metal nanocatalysts.
Cao, K., Zoberbier, T., Biskupek, J., Botos, A., McSweeney, R. L., Kurtoglu, A., Stopiello, C. T., Markevich, A. V., Besley, E., Chamberlain, T. W., Kaiser, U. and Khlobystov, A. N.
Nature Communications 9, 3382 (2018).
DOI: http://dx.doi.org/10.1038/s41467-018-05831-z

110. Substrate-induced shifts and screening in the fluorescence spectra of supramolecular adsorbed organic monolayers.
Kerfoot, J., Korolkov, V. V., Nizovtsev, A. S., Jones, R., Taniguchi, T., Watanabe, K., Lesanovsky, I., Olmos, B., Besley, N. A., Besley, E. and Beton, P. H.
Journal of Chemical Physics 149, 054701 (2018).
DOI: http://dx.doi.org/10.1063/1.5041418

This article has been selected to be promoted as an Editor's Pick.

109. Electrostatic interactions between charged dielectric particles in an electrolyte solution: constant potential boundary conditions.
Derbenev, I. N., Filippov, A. V., Stace, A. J. and Besley, E.
Soft Matter 14, 5480-5487 (2018).
DOI: http://dx.doi.org/10.1039/C8SM01068D

Our contribution to the themed collection "Electrostatics and Soft Matter: a Themed Collection in Memory of Per Linse"

108. An integral equation approach to calculate electrostatic interactions in many-body dielectric systems.
Lindgren, E. B., Stace, A. J., Polack, E., Maday, Y., Stamm, B. and Besley, E.
Journal of Computational Physics 371, 712-731 (2018).
DOI: http://dx.doi.org/10.1016/j.jcp.2018.06.015
107. Implanting germanuim into graphene.
Tripathi, M., Markevich, A., Böttger, R., Facsko, S., Besley, E., Kotakoski, J. and Susi, T.
ACS Nano 12, 4641-4647 (2018).
DOI: http://dx.doi.org/10.1021/acsnano.8b01191
106. Enhancement of CO2 uptake and selectivity in a metal-organic-framework by the incorporation of thiophene functionality.
Bolotov, V. A., Kovalenko, K. A., Samsonenko, D. G., Han, X., Zhang, X., Smith, G. L., McCormick, L., Teat, S. J., Yang, S., Lennox, M. J., Henley, A., Besley, E., Fedin, V. P., Dybtsev, D. N. and Schröder, M.
Inorganic Chemistry 57, 5074-5082 (2018).
DOI: http://dx.doi.org/10.1021/acs.inorgchem.8b00138
105. Electrostatic self-assembly: Understanding the significance of the solvent.
Lindgren, E. B., Derbenev, I. N., Khachatourian, A., Chan, H.-K., Stace, A. J. and Besley, E.
Journal of Chemical Theory and Computation 14, 905-915 (2018).
DOI: http://dx.doi.org/10.1021/acs.jctc.7b00647
104. Dynamic simulations of many-body electrostatic self-assembly.
Lindgren, E. B., Stamm, B., Maday, Y., Besley, E. and Stace, A. J.
Philosophical Transactions of the Royal Society A 376, 20170143 (2018).
DOI: http://dx.doi.org/10.1098/rsta.2017.0143

One contribution of 14 to the theme issue "Modern Theoretical Chemistry".

2017

103. Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays.
Korolkov, V. V., Baldoni, M., Watanabe, K., Taniguchi, T., Besley, E. and Beton, P. H.
Nature Chemistry 9, 1191-1197 (2017).
DOI: http://dx.doi.org/10.1038/nchem.2824
102. Chemical reactions of molecules promoted and simultaneously imaged by the electron beam in transmission electron microscopy.
Skowron, S. T., Chamberlain, T. W., Biskupek, J., Kaiser, U., Besley, E. and Khlobystov, A.
Accounts of Chemical Research 50, 1797-1807 (2017).
DOI: http://dx.doi.org/10.1021/acs.accounts.7b00078

Published as part of the Accounts of Chemical Research special issue "Direct Visualization of Chemical and Self-Assembly Processes with Transmission Electron Microscopy".

101. Coulomb fission in multiply charged molecular clusters: Experiment and theory.
Harris, C., Baptiste, J., Lindgren, E. B., Besley, E. and Stace, A. J.
Journal of Chemical Physics 146, 164302 (2017).
DOI: http://dx.doi.org/10.1063/1.4981918
100. The right isotherms for the right reasons? Validation of generic force fields for prediction of methane adsorption in metal-organic frameworks
Lennox, M. J., Bound, M., Henley, A. and Besley, E.
Molecular Simulation 43, 828-837 (2017).
DOI: http://dx.doi.org/10.1080/08927022.2017.1301665
99. ACS Editors' Choice
Open Access
Stop-frame filming and discovery of reactions at the single-molecule level by transmission electron microscopy.
Chamberlain, T. W., Biskupek, J., Skowron, S. T., Markevich, A. V., Kurasch, S., Reimer, O., Walker, K., Rance, G. A., Feng, X., Müllen, K., Turchanin, A., Lebedeva, M. A., Majouga, A. G., Nenajdenko, V. G., Kaiser, U., Besley, E. and Khlobystov, A. N.
ACS Nano 11, 2509-2520 (2017).
DOI: http://dx.doi.org/10.1021/acsnano.6b08228

Research Highlights Nature Nanotechnology 12, 286 (2017)

98. Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks.
Moreau, F., Kolokolov, D. I., Stepanov, A. G., Easun, T. L., Dailly, A., Lewis, W., Blake, A. J., Nowell, H., Lennox, M. J., Besley, E., Yang, S. and Schröder, M.
Proceedings of the National Academy of Sciences 114, 3056-3061 (2017).
DOI: http://dx.doi.org/10.1073/pnas.1615172114
97. The effect of like-charge attraction on aerosol growth in the atmosphere of Titan.
Lindgren, E. B., Stamm, B., Chan, H.-K., Maday, Y., Stace, A. J. and Besley, E.
Icarus 291, 245-253 (2017).
DOI: http://dx.doi.org/10.1016/j.icarus.2016.12.013

2016

96. Computational evaluation of the impact of incorporated nitrogen and oxygen heteroatoms on the affinity of polyaromatic ligands for carbon dioxide and methane in metal-organic frameworks.
Henley, A., Lennox, M., Easun, T., Moreau, F., Schröder, M. and Besley, E.
Journal of Physical Chemistry C 120, 27342-27348 (2016).
DOI: http://dx.doi.org/10.1021/acs.jpcc.6b08767
95. Open Access
Amides do not always work: observation of guest binding in an amide-functionalized porous metal-organic framework.
Benson, O., da Silva, I., Argent, S., Cabot, R., Savage, M., Godfrey, H. G. W., Yan, Y., Parker, S. F., Manuel, P., Lennox, M. J., Mitra, T., Easun, T. L., Lewis, W., Blake, A. J., Besley, E., Yang, S. and Schröder, M.
Journal of the American Chemical Society 138, 14828-14831 (2016).
DOI: http://dx.doi.org/10.1021/jacs.6b08059
94. Dynamic behavior of single Fe atoms embedded in graphene.
Markevich, A., Baldoni, M., Warner, J., Kirkland, A. and Besley, E.
Journal of Physical Chemistry C 120, 21998-22003 (2016).
DOI: http://dx.doi.org/10.1021/acs.jpcc.6b06554
93. Electrostatic interactions between charged dielectric particles in an electrolyte solution.
Derbenev, I. N., Filippov, A. V., Stace, A. J. and Besley, E.
Journal of Chemical Physics 145, 084103 (2016).
DOI: http://dx.doi.org/10.1063/1.4961091
92. Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters.
La Torre, A., Åhlgren, E. H., Fay, M. W., Ben Romdhane, F., Skowron, S. T., Parmenter, C., Davies, A. J., Jouhannaud, J., Pourroy, G., Khlobystov, A. N., Brown, P. D., Besley, E. and Banhart, F.
Nanoscale 8, 15079-15085 (2016).
DOI: http://dx.doi.org/10.1039/C6NR03474H
91. Direct measurement of electron transfer in nanoscale host-guest systems: metallocenes in carbon nanotubes.
McSweeney R. L., Chamberlain, T. W., Baldoni, M., Lebedeva, M. A., Davies, E. S., Besley, E. and Khlobystov, A. N.
Chemistry - A European Journal 22, 13540-13549 (2016).
DOI: http://dx.doi.org/10.1002/chem.201602116
90. Effective binding of methane using weak hydrogen bond.
Henley, A., Bound, M. and Besley, E.
Journal of Physical Chemistry A 120, 3701-3709 (2016).
DOI: http://dx.doi.org/10.1021/acs.jpca.6b03331
89. Reaction kinetics of bond rotation in graphene.
Skowron, S. T., Koroteev, V. O., Baldoni, M., Lopatin, S., Zurutuza, A., Chuvilin, A. and Besley, E.
Carbon 105, 176-182 (2016).
DOI: http://dx.doi.org/10.1016/j.carbon.2016.04.020
88. Open Access
Observation of binding and rotation of methane and hydrogen within a functional metal-organic framework.
Savage, M., da Silva, I., Johnson, M., Carter, J., Newby, R., Suyetin, M., Besley, E., Manuel, P., Rudic, S., Fitch, A., Murray, C., David, W., Yang, S. and Schröder, M.
Journal of the American Chemical Society 138, 9119-9127 (2016).
DOI: http://dx.doi.org/10.1021/jacs.6b01323
87. Mechanisms of monovacancy diffusion in graphene.
Wadey, J. D., Markevich, A., Robertson, A., Warner, J., Kirkland, A. and Besley, E.
Chemical Physics Letters 648, 161-165 (2016).
DOI: http://dx.doi.org/10.1016/j.cplett.2016.02.005
86. Progress in the theory of electrostatic interactions between charged particles.
Lindgren, E. B., Chan, H.-K., Stace, A. J. and Besley, E.
Perspective Article, Phys. Chem. Chem. Phys. 18, 5883-5895 (2016).
DOI: http://dx.doi.org/10.1039/C5CP07709E
85. The influence hydrogen atom addition has on charge switching during motion of the metal atom in endohedral Ca@C60H4 isomers.
Raggi, G., Besley, E. and Stace, A. J.
Philosophical Transactions of the Royal Society A 374: 20150319 (2016).
DOI: http://dx.doi.org/10.1098/rsta.2015.0319
84. Open Access
Electron beam controlled covalent attachment of small organic molecules to graphene.
Markevich, A., Kurasch, S., Lehtinen, O., Reimer, O., Feng, X., Müllen, K., Turchanin, A., Khlobystov, A. N., Kaiser, U. and Besley, E.
Nanoscale 8, 2711-2719 (2016).
DOI: http://dx.doi.org/10.1039/C5NR07539D
83. Open Access
Stabilising the lowest energy charge-separated state in a {metal chromophore - fullerene} assembly: a tuneable panchromatic absorbing donor acceptor triad.
Lebedeva, M. A., Chamberlain, T. W., Scattergood, P. A., Delor, M., Sazanovich, I. V., Weinstein, J. A., Davies, E. S., Suyetin, M., Besley, E., Schröder, M. and Khlobystov, A. N.
Edge Article, Chemical Science 7, 5908-5921 (2016).
DOI: http://dx.doi.org/10.1039/c5sc04271b
82. Investigation of the interactions and bonding between carbon and group-VIII metals at the atomic scale.
Zoberbier, T., Chamberlain, T. W., Biskupek, J., Suyetin, M., Majouga, A. G., Besley, E., Kaiser, U. and Khlobystov, A. N.
Small 12, 1649-1657 (2016).
DOI: http://dx.doi.org/10.1002/smll.201502210

2015

81. Open Access
Energetics of atomic scale structure changes in graphene.
Skowron, S. T., Lebedeva, I. V., Popov, A. M. and Bichoutskaia, E.
Chemical Society Reviews 44, 3143-3176 (2015).
DOI: http://dx.doi.org/10.1039/C4CS00499J
80. Switching intermolecular interactions by confinement in carbon nanotubes.
Chamberlain, T. W., Lebedeva, M. A., Abuajwa, W., Suyetin, M., Lewis, W., Bichoutskaia, E., Schröder, M. and Khlobystov, A. N.
Chemical Communications 51, 648-651 (2015).
DOI: http://dx.doi.org/10.1039/c4cc08029g
79.
Cyclometallated platinum(II) complexes containing NHC ligands: synthesis, characterization, photophysics and their application as emitters in OLEDs.
Solomatina, A. I., Krupenya, D. V., Gurzhii, V. V., Zlatkin, I., Pushkarev, A. P., Bochkarev, M. N., Besley, N. A., Bichoutskaia, E. and Tunik, S. P.
Dalton Transactions 44, 7152-7162 (2015).
DOI: http://dx.doi.org/10.1039/C4DT03106G
78. Epitaxial retrieval of a disappearing polymorph.
Tidey, J., O'Connor, A., Markevich, A., Bichoutskaia, E., Cavan, J., Lawrance, G., Wong, H., McMaster, J., Schröder, M. and Blake, A.
Crystal Growth and Design 15, 115-123 (2015).
DOI: http://dx.doi.org/10.1021/cg5000967w
77. Open Access
Adsorbate-induced curvature and stiffening of graphene.
Svatek, S. A., Scott, O. R., Rivett, J. P. H., Wright, K., Baldoni, M., Bichoutskaia, E., Taniguchi, T., Watanabe, K., Marsden, A. J., Wilson, N. R. and Beton, P. H.
Nano Letters 15, 159-164 (2015).
DOI: http://dx.doi.org/10.1021/nl503308c
76. Open Access

Cover DOI: 10.1002/smll.201570027

Isotope substitution extends the lifetime of organic molecules in transmission electron microscopy.
Chamberlain, T. W., Biskupek, J., Skowron, S. T., Bayliss, P. A., Bichoutskaia, E., Kaiser, U. and Khlobystov, A. N.
Small 11, 622-629 (2015).
DOI: http://dx.doi.org/10.1002/smll.201402081

Corrigendum: Small, 2017, 13, 1770095.
DOI: 10.1002/smll.201700766

75. A general geometric representation of sphere-sphere interactions.
Chan, H.-K., Lindgren, E. B., Stace, A. J. and Bichoutskaia, E.
Springer International Publishing 2015, Nascimento, M. A. C. et al. (Eds.)
Frontiers in Quantum Methods and Applications in Chemistry and Physics,
Progress in Theoretical Chemistry and Physics 29, 29-36 (2015).

2014

74. Using transmission electron microscopy to stimulate and understand the formation of defects in graphene.
Chuvilin, A., Zubeltzu, J., Zurutuza, A., Bichoutskaia, E. and Lopatin, S.
Microscopy and Analysis 28, 5-12, November (2014).
73. Polarisation charge switching through the motion of metal atoms trapped in fullerene cages.
Raggi, G., Stace, A. J. and Bichoutskaia, E.
Phys. Chem. Chem. Phys. 16, 23869-23873 (2014).
DOI: http://dx.doi.org/10.1039/C4CP02672A
72. A robust binary supramolecular organic framework (SOF) with high CO2 adsorption and selectivity.
Lü, J., Perez-Krap, C., Suyetin, M., Alsmail, N. H., Yan, Y., Yang, S., Lewis, W., Bichoutskaia, E., Tang, C. C., Blake, A. J., Cao, R. and Schröder, M.
Journal of the American Chemical Society 136, 12828-12831 (2014).
DOI: http://dx.doi.org/10.1021/ja506577g
71. Methane adsorption in metal-organic frameworks containing nanographene linkers: a computational study.
Bichoutskaia, E., Suyetin, M., Bound, M., Yan, Y. and Schröder, M.
Journal of Physical Chemistry C 118, 15573-15580 (2014).
DOI: http://dx.doi.org/10.1021/jp503210h
70. A novel bismuth-based metal-organic framework for high volumetric methane and carbon dioxide adsorption.
Savage, M., Yang, S., Suyetin, M., Bichoutskaia, E., Blake, A. J., Barnett, S. A. and Schröder, M.
Chemistry - A European Journal 20, 8024-8029 (2014).
DOI: http://dx.doi.org/10.1002/chem.201304799
69. Open Access

Band gap expansion, shear inversion phase change behaviour and low-voltage induced crystal oscillation in low-dimensional tin selenide crystals.
Carter, R., Suyetin, M., Lister, S., Dyson, M. A., Trewhitt, H., Goel, S., Liu, Z., Suenaga, K., Giusca, C., Kashtiban, R. J., Hutchinson, J. L., Dore, J. C., Bell, G. R., Bichoutskaia, E. and Sloan. J.
Dalton Transactions 43, 7391-7399 (2014).
DOI: http://dx.doi.org/10.1039/C4DT00185K
68. Formation of nickel-carbon heterofullerenes under electron irradiation.
Sinitsa, A. S., Lebedeva, I. V., Knizhnik, A. A., Popov, A. M., Skowron, S. T. and Bichoutskaia, E.
Dalton Transactions 43, 7499-7513 (2014).
DOI: http://dx.doi.org/10.1039/C3DT53385A
67. Electrostatic force between a charged sphere and a planar surface: a general solution for dielectric materials.
Khachatourian, A., Chan, H.-K., Stace, A. J. and Bichoutskaia, E.
Journal of Chemical Physics 140, 074107 (2014).
DOI: http://dx.doi.org/10.1063/1.4862897
66. Analysis of high and selective uptake of CO2 in an oxamide-contaning {Cu2(OOCR)4} based metal organic framework.
Alsmail, N. H., Suyetin, M., Yan Y., Cabot, R., Perez-Krap, C., Lü, J., Easun, T. L., Bichoutskaia, E., Lewis W., Blake, A. J. and Schröder, M.
Chemistry - A European Journal 20, 7317-7324 (2014).
DOI: http://dx.doi.org/10.1002/chem.201304005

2013

65. Open Access
Surface-charge distribution on a dielectric sphere due to an external point charge: examples of C60 and C240 fullerenes.
Raggi, G., Stace, A. J. and Bichoutskaia, E.
Phys. Chem. Chem. Phys. 15, 20115-20119 (2013).
DOI: http://dx.doi.org/10.1039/C3CP53522C
64. Electron-beam engineering of single-walled carbon nanotubes from bilayer graphene.
Algara-Siller, G., Santana, A., Onions, R., Suyetin, M., Biskupek, J., Bichoutskaia, E. and Kaiser, U.
Carbon 65, 80-86 (2013).
DOI: http://dx.doi.org/10.1016/j.carbon.2013.07.107
63. Open Access
Approaches to modelling irradiation-induced processes in transmission electron microscopy.
Skowron, S. T., Lebedeva, I., Popov, A. and Bichoutskaia, E.
Feature Article, Nanoscale 5, 6677-6692 (2013).
DOI: http://dx.doi.org/10.1039/C3NR02130K
62. Transition metal complexes of a salen-fullerene diad: redox and catalytically active nanostructures for delivery of metals in nanotubes.
Lebedeva, M. A., Chamberlain, T. W., Davies E. S., Mancel, D., Thomas, B. E., Suyetin, M., Bichoutskaia, E., Schröder, M. and Khlobystov, A. N.
Chemistry - A European Journal 19, 11999-12008 (2013).
DOI: http://dx.doi.org/10.1002/chem.201300872
61. Coulomb fission in dielectric dication clusters: experiment and theory on steps that may underpin the electrospray mechanism.
Chen, X., Bichoutskaia, E. and Stace, A. J.
Journal of Physical Chemistry A 117, 3877-3886 (2013).
DOI: http://dx.doi.org/10.1021/jp311950p
60. Open Access
Inclusion of radiation damage dynamics in high-resolution transmission electron microscopy image simulations: The example of graphene.
Santana, A., Zobelli, A., Kotakoski, J., Chuvilin, A. and Bichoutskaia, E.
Physical Review B 87, 094110 (2013).
DOI: http://dx.doi.org/10.1103/PhysRevB.87.094110
59. Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal-organic polyhedral framework.
Yan, Y., Suyetin, M., Bichoutskaia, E., Blake, A. J., Allan, D. R., Barnett, S. A. and Schröder, M.
Edge Article, Chemical Science 4, 1731-1736 (2013).
DOI: http://dx.doi.org/10.1039/C3SC21769H
58. Meso-scale modelling of shock wave propagation in a SiC/Al nanocomposite reinforced with WS2-inorganic fullerene nanoparticles.
Volkova, E. I., Jones, A., Brooks, R., Zhu, Y. and Bichoutskaia, E.
Composite Structures 96, 601-605 (2013).
DOI: http://dx.doi.org/10.1016/j.compstruct.2012.08.039
57. Stability and dynamics of vacancy in graphene flakes: edge effects.
Santana, A., Popov, A. and Bichoutskaia, E.
Chem. Phys. Lett. 557, 80-87 (2013).
DOI: http://dx.doi.org/10.1016/j.cplett.2012.11.077

2012

56. Reply to the 'Comment on "Treating highly charged carbon and fullerene clusters as dielectric particles" ' by H. Zettergren and H. Cederquist, Phys. Chem. Chem. Phys. , 2012, 14, DOI: 10.1039/c2cp42883k.
Stace, A. J. and Bichoutskaia, E.
Phys. Chem. Chem. Phys. 14, 16771-16772 (2012).
DOI: http://dx.doi.org/10.1039/C2CP43407E
55. Open Access
Electronic excitation in bulk and nanocrystalline alkali halides.
Bichoutskaia, E. and Pyper, N. C.
J. Chem. Phys. 137, 184104 (2012).
DOI: http://dx.doi.org/10.1063/1.4764307
54. Open Access
Sequential multiscale modelling of SiC/Al nanocompositeis reinforced with WS2 nanoparticles under static loading.
Volkova, E. I., Jones, A., Brooks, R., Zhu, Y. and Bichoutskaia, E.
Physical Review B 86, 104111 (2012).
DOI: http://dx.doi.org/10.1103/PhysRevB.86.104111
53. Controlling the regioselectivity of the hydrosilylation reaction in carbon nanoreactors.
Solomonsz, W. A., Rance, G. A., Suyetin, M., La Torre, A., Bichoutskaia, E. and Khlobystov, A. N.
European Journal of Chemistry 18, 13180-13187 (2012).
DOI: http://dx.doi.org/10.1002/chem.201201542
52. Selective CO2 uptake and inverse CO2/C2H2 selectivity in a dynamic bi-functional metal-organic framework.
Yang, W., Davies, A. J., Lin, X., Suyetin, M., Matsuda, R., Blake, A. J., Wilson, C., Lewis, W., Parker, J. E., Tang, C. C., George, M. W., Hubberstey, P., Kitagawa, S., Sakamoto, H., Bichoutskaia, E., Champness, N. R., Yang, S. and Schröder, M.
Edge Article. Chemical Science 3, 2993-2999 (2012).
DOI: http://dx.doi.org/10.1039/C2SC20443F
51. A partially-interpenetrated metal-organic framework for selective hysteretic sorption of carbon dioxide.
Yang, S., Lin, X., Lewis, W., Suyetin, M., Bichoutskaia, E., Parker, J. E., Tang, C. C., Allan, D. R., Rizkallah, P. J., Hubberstey, P., Champness, N. R., Thomas, M. K., Blake, A. J. and Schröder, M.
Nature Materials 11, 710-716 (2012).
DOI: http://dx.doi.org/10.1038/nmat3343
50. Aberration corrected imaging of a carbon nanotube encapsulated Lindqvist ion and correlation with density functional theory calculations.
Sloan, J., Bichoutskaia, E., Liu, Z., Kuganathan, N., Faulques, E., Suenaga, K. and Shannon, I.
Journal of Physics: Conference Series 371, 012018 (2012).
DOI: http://dx.doi.org/10.1088/1742-6596/371/1/012018
49. Open Access
Absolute electrostatic force between two charged particles in a low dielectric solvent.
Stace, A. J. and Bichoutskaia, E.
Soft Matter 8, 6210-6213 (2012).
DOI: http://dx.doi.org/10.1039/C2SM25602A
48. Size, structure and helical twist of graphene nanoribbons controlled by confinement in carbon nanotubes.
Chamberlain, T. W., Biskupek, J., Rance, G. A., Chuvilin, A., Alexander, T. J., Bichoutskaia, E., Kaiser, U. and Khlobystov, A. N.
ACS Nano 6(5), 3943-3953 (2012).
DOI: http://dx.doi.org/10.1021/nn300137j
47. Interactions and reactions of transition metal clusters with the interior of single-walled carbon nanotubes imaged at the atomic scale.
Zoberbier, T., Chamberlain, T. W., Biskupek, J., Kuganathan, N., Eyhusen, S., Bichoutskaia, E., Kaiser, U. and Khlobystov, A. N.
Journal of the American Chemical Society 134(6), 3073-3079 (2012).
DOI: http://dx.doi.org/10.1021/ja208746z
46. High-precision imaging of an encapsulated Lindqvist ion and correlation of its structure and symmetry with quantum chemical calculations.
Bichoutskaia, E., Liu, Z., Kuganathan, N., Faulques, E., Suenaga, K., Shannon, I. and Sloan, J.
Nanoscale 4, 1190-1199 (2012).
DOI: http://dx.doi.org/10.1039/C2NR11621A

This article is contribution to themed issue Modelling of the Nanoscale.

2011

45. Computational Nanoscience.
RSC Theoretical and Computational Chemistry Series.
Bichoutskaia, E. (Editor)
RSC Publishing 2011, 429 pp.
DOI: http://dx.doi.org/10.1039/9781849732680
44. Vacancy migration in graphene flakes and ribbons.
Loftus, B., Bichoutskaia, E. and Marks, G.
241st National Meeting of the American Chemical Society
Abstracts of papers of the American Chemical Society
241, 810-CHED (2011).
43. Open Access
Treating highly charged carbon and fullerene clusters as dielectric particles.
Stace, A. J. and Bichoutskaia, E.
Phys. Chem. Chem. Phys.13(41), 18339-18346 (2011).
DOI: http://dx.doi.org/10.1039/c1cp21573f
42. Self-assembly of a sulphur-terminated graphene nanoribbon within a single-walled carbon nanotube.
Chuvilin, A., Bichoutskaia, E., Gimenez-Lopez, M. C., Chamberlain, T. W., Rance, G. A., Kuganathan, N., Biskupek, J., Kaiser, U. and Khlobystov, A. N.
Nature Materials 10, 687-692 (2011).
DOI: http://dx.doi.org/10.1038/nmat3082
41. Reactions of the inner surface of carbon nanotubes and nanoprotrusion processes imaged at the atomic scale.
Chamberlain, T. W., Meyer, J. C., Biskupek, J., Leschner, J., Santana, A., Besley, N. A., Bichoutskaia, E., Kaiser, U. and Khlobystov, A. N.
Nature Chemistry 3, 732-737 (2011).
DOI: http://dx.doi.org/10.1038/nchem.1115
40. Why like-charged particles of dielectric materials can be attracted to one another.
Stace, A. J., Boatwright, A. L., Khachatourian, A. and Bichoutskaia, E.
Journal of Colloid and Interface Science 354, 417-420 (2011).
DOI: http://dx.doi.org/10.1016/j.jcis.2010.11.030

2010

39. Nanoresonator based on relative vibrations of the walls of carbon nanotubes.
Bichoutskaia, E., Popov, A. M., Lozovik, Y. E., Ershova, O. V., Lebedeva, I. V. and Knizhnik, A. A.
Fullerenes Nanotubes and Carbon Nanostructures 18, 523-530 (2010).
DOI: http://dx.doi.org/10.1080/1536383X.2010.488524
38. Open Access
Electrostatic analysis of the interactions between charged particles of dielectric materials.
Bichoutskaia, E., Boatwright, A. L., Khachatourian A. and Stace, A. J.
Journal of Chemical Physics 133, 024105 (10 pages) (2010).
DOI: http://dx.doi.org/10.1063/1.3457157
37. Open Access
Study of polycyclic aromatic hydrocarbons adsorbed on graphene using density functional theory with empirical dispersion corrections.
Ershova, O. V., Lillestolen, T. C. and Bichoutskaia, E.
Physical Chemistry Chemical Physics 12, 6483-6491 (2010).
DOI: http://dx.doi.org/10.1039/c000370k

This paper was published as part of a PCCP themed issue on Characterisation of Adsorbed Species. Guest Editors: Petr Nachtigall and Carlos Otero Arean.

36. Direct transformation of graphene to fullerene.
Chuvilin, A., Kaiser, U., Bichoutskaia, E., Besley, N. A. and Khlobystov, A. N.
Nature Chemistry 2, 450-453 (2010).
DOI: http://dx.doi.org/10.1038/nchem.644
35. High frequency electromechanical memory cell based on telescoping carbon nanotubes.
If download this paper please notice page numbers are 4322-4328 not 1-7.
Popov, A. M., Lozovik, Y. E., Kulish, A. S. and Bichoutskaia, E.
Journal of Nanoscience and Nanotechnology 10, 4322-4328 (2010).
DOI: http://dx.doi.org/10.1166/jnn.2010.2502

2009

34. Modeling of an ultrahigh-frequency resonator based on the relative vibrations of carbon nanotubes.
Bichoutskaia, E., Popov, A. M., Lozovik, Y. E., Ershova, O.V., Lebedeva, I. V. and Knizhnik, A. A.
Physical Review B 80, 165427 (2009).
DOI: http://dx.doi.org/10.1103/PhysRevB.80.165427
33. Ab initio calculations of the walls shear strength of carbon nanotubes.
Bichoutskaia, E., Ershova, O.V., Lozovik, Y. E. and Popov, A.M.
Technical Physics Letters (Russian journal) 35, 666-669 (2009).

Original Russian text can be found here

32. An electromechanical nanothermometer based on thermal vibrations of carbon nanotube walls.
Popov, A.M., Lozovik, Y.E., Bichoutskaia, E., Ivanchenko, G.S., Lebedev, N.G. and Krivorotov, E.K.
Physics of the Solid State (Russian journal) 51, 1306-1314 (2009).

Original Russian text can be found here

2008

31. Theoretical study of the structures and electronic properties of all-surface KI and CsI nanocrystals encapsulated in single walled carbon nanotubes.
Bichoutskaia, E. and Pyper, N.C.
Journal of Chemical Physics 129, 154701 (2008).
DOI: http://dx.doi.org/DOI:10.1063/1.2987703
30. Electromechanical nanothermometer based on carbon nanotubes.
Popov, A.M., Lozovik, Y.E., Bichoutskaia, E., Ivanchenko, G.S., Lebedev, N.G. and Krivorotov, E.K.
Fullerenes Nanotubes and Carbon Nanostructures 16, 352–356 (2008).
DOI: http://dx.doi.org/10.1080/15363830802225317
29. Nanorelay based on multi-walled nanotubes.
Kulish, A.S., Popov, A.M., Lozovik, Y.E. and Bichoutskaia, E.
Fullerenes Nanotubes and Carbon Nanostructures 16, 340–343 (2008).
DOI: http://dx.doi.org/10.1080/15363830802219914
28. Nanotube-based data storage devices.
Bichoutskaia, E., Popov, A.M. and Lozovik, Y.E.
Materials Today 11, 38–43 (2008).
DOI: http://dx.doi.org/10.1016/S1369-7021(08)70120-2
27. A theoretical study of the cohesion of noble gases on graphite.
Bichoutskaia, E. and Pyper, N.C.
Journal of Chemical Physics 128, 024709 (2008).
DOI: http://dx.doi.org/10.1063/1.2819242

2007

26. Modelling interwall interactions in carbon nanotubes: fundamentals and device applications.
Bichoutskaia, E.
Invited Article for Triennial Issue 'Chemistry & Engineering'
Philosophical Transactions - Royal Society of London Series A: Mathematical Physical and Engineering Sciences 365, 2893–2906 (2007).
DOI: http://dx.doi.org/10.1098/rsta.2007.0017
25. Electromechanical nanothermometer.
Bichoutskaia, E., Popov, A.M., Lozovik, Y.E., Ivanchenko, G.S. and Lebedev, N.G.
Physics Letters A 366, 480–486 (2007).
DOI: http://dx.doi.org/10.1016/j.physleta.2007.01.077
24. Polarizability of the iodide ion in crystal.
Bichoutskaia, E. and Pyper, N.C.
Journal of Physical Chemistry C 111, 9548–9561 (2007).
DOI: http://dx.doi.org/10.1021/jp068257s
23. Nanoelectromechanical systems based on multi-walled nanotubes: nanothermometer, nanorelay, and nanoactuator.
Popov, A.M., Bichoutskaia, E., Lozovik, Y.E. and Kulish, A.S.
Physica Status Solidi A: Applications and Materials Science 204, 1911–1917 (2007).
DOI: http://dx.doi.org/10.1002/pssa.200675322

2006

22. Multi-walled nanotubes: commensurate-incommensurate phase transition and NEMS applications.
Bichoutskaia, E., Heggie, M.I., Lozovik, Y.E. and Popov, A.M.
Fullerenes Nanotubes and Carbon Nanostructures 14, 131–140 (2006).
DOI: http://dx.doi.org/10.1080/15363830600663412
21. Diffusion of walls in double-walled carbon nanotubes.
Bichoutskaia, E., Heggie, M.I., Lozovik, Y.E. and Popov, A.M.
Fullerenes Nanotubes and Carbon Nanostructures 14, 215–220 (2006).
DOI: http://dx.doi.org/10.1080/15363830600728074
20. Interwall interaction and elastic properties of carbon nanotubes.
Bichoutskaia, E., Heggie, M.I., Popov, A.M. and Lozovik, Y.E.
Physical Review B 73, 045435 (2006).
DOI: http://dx.doi.org/10.1103/PhysRevB.73.045435
19. Structure and energetics of LiF chains as a model for low dimensional alkali halide nanocrystals.
Bichoutskaia, E. and Pyper, N.C.
Chemical Physics Letters 423, 234–239 (2006).
DOI: http://dx.doi.org/10.1016/j.cplett.2006.03.043
18. Fundamental global model for the structures and energetics of nanocrystalline ionic solids.
Bichoutskaia, E. and Pyper, N.C.
The Journal of Physical Chemistry B 110, 5936–5949 (2006).
DOI: http://dx.doi.org/10.1021/jp055800g
17. Nanothermometer, nanorelay and nanomotor based on the interaction of the walls of carbon nanotubes (in Russian).
Popov, A.M., Bichoutskaia, E., Kulish, A.S. and Lozovik, Y.E.
Carbon Nanoparticles in Condensed Matter, Minsk, 34–41 (2006).

2005

16. Ab initio study of relative motion of walls in carbon nanotubes.
Bichoutskaia, E., Popov, A.M., El-Barbary, A., Heggie, M.I. and Lozovik, Y.E.
Physical Review B 71, 113403 (2005).
DOI: http://dx.doi.org/10.1103/PhysRevB.71.113403

2004

15. Intermolecular potential energy extrapolation method for weakly bound systems: Ar2, Ar-H2 and Ar-HF dimers.
Bichoutskaia, E., Tulegenov, A.S. and Wheatley, R.J.
Molecular Physics 102, 567–577 (2004).
DOI: http://dx.doi.org/10.1080/00268970410001683852
14. Extrapolation methods and scaled perturbation theory for determining intermolecular potential energy surfaces.
Hodges, M.P., Bichoutskaia, E., Tulegenov, A.S. and Wheatley, R.J.
International Journal of Quantum Chemistry 96, 537–546 (2004).
DOI: http://dx.doi.org/10.1002/qua.10747
13. Ab initio spectroscopy of Van der Waals molecules: a comparison of three different theoretical methods applied to NeHF and NeDF.
Newton, D.P., Bichoutskaia, E. and Wheatley, R.J.
Chemical Physics Letters 393, 70–75 (2004).
DOI: http://dx.doi.org/10.1016/j.cplett.2004.06.018
12. Intermolecular potentials from supermolecule and monomer calculations.
Wheatley, R.J., Tulegenov, A.S. and Bichoutskaia, E.
International Reviews in Physical Chemistry 23, 151–185 (2004).
DOI: http://dx.doi.org/10.1080/014423504200207772

2003

11. Perturbative, acausal effects in ultracold non-crossing atomic collisions.
Bichoutskaia, E. and Crothers, D.S.F.
Journal of Physics B: Atomic Molecular and Opitical Physics 36, 11–18 (2003).
DOI: http://dx.doi.org/10.1088/0953-4075/36/1/302

2002

10. On the semiclassical approach to cold atomic collisions.
Bichoutskaia, E., Crothers, D.S.F. and Sokolovski, D.
Proceedings of the Royal Society of London A 458, 1399–1410 (2002).
DOI: http://dx.doi.org/10.1098/rspa.2001.0919
9. Extrapolation of intermolecular interaction energies in weakly bound Van der Waals complexes.
Bichoutskaia, E., Hodges, M.P. and Wheatley, R.J.
Journal of Computational Methods in Sciences and Engineering 2, 391–397 (2002).
8. Semiclassical analytical approach to the description of quasimolecular optical transitions.
Devdariani, A., Bichoutskaia, E., Tchesnokov, E., Bichoutskaia, T., Crothers, D.S.F., Leboucher-Dalimier, E., Sauvan, P. and Angelo, P.
Journal of Physics B: Atomic Molecular and Optical Physics 35, 2469–2476 (2002).
DOI: http://dx.doi.org/10.1088/0953-4075/35/11/306

2001

7. Spectroscopy of quasimolecular optical transitions: Ca(4s2 1S0 - 4s4p 1P, 4s3d 1D2)-He. The influence of radiation width.
Bichoutskaia, E., Devdariani, A., Ohmori, K., Misaki, O., Ueda, K. and Sato, Y.
Journal of Physics B: Atomic Molecular and Optical Physics 34, 2301–2312 (2001).
DOI: http://dx.doi.org/10.1088/0953-4075/34/12/301

2000

6. Quasi-molecular emission and nonadiabatic transitions: II. Ca(4s4p 1P, 4s3d 1D)-He(1s2, 1S0) quasi-molecule.
Bichutskaya, E.N., Devdariani, A.Z. and Zagrebin, A.L.
Optics and Spectroscopy C/C of Optika I Spektroskopiia 88, 163–168 (2000).

1999

5. Quasi-molecular emission and nonadiabatic transitions. I. Ca(4s4p 3P1, 3P2) and Mg(3s3p 3P1, 3P2)-He(1s2 1S0) quasi-molecules.
Bichutskaya, E.N., Devdariani, A.Z., Zagrebin, A.L. and Sebyakin, Y.N.
Optics and Spectroscopy C/C of Optika I Spektroskopiia 87, 197–202 (1999).

1998

4. A satellite of a spectral line as a consequence of nonadiabatic interaction of atoms: Demkov's model.
Bichutskaya, E.N., Devdariani, A.Z. and Sebyakin, Y.N.
Optics and Spectroscopy C/C of Optika I Spektroskopiia 85, 7–13 (1998).

1995

3. Application of asymptotic methods for describing a diffusive-recombinative mode of discharge.
Golubovskii, Y.B., Kuranov, A.L., Suleimenov, I.E. and Bichutskaya, E.N.
Plasma Physics Reports C/C of Fizika Plazmy 21, 424 (1995).

1993

2. The effect of a local magnetic field on the spatial-phase characteristics of striations.
Bichutskaya, E.N., Golubovskii, Y.B., Nekuchaev, V.O. and Ponomarev, N.S.
Technical Physics C/C of Zhurnal Tekhnicheskoi Fiziki 38, 241 (1993).

1991

1. Gas-discharge lighting system for colour-dynamic devices.
Bichutskaya, E.N., Golubovskii, Y.B. and Suleimenov, I. E.
Patent for Invention N1802886 USSR (1991).