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2011
C60
on the Pt(111) Surface: Structural Tuning of Electronic
Properties
X.Q. Shi, A.B. Pang, K.L. Man, R.Q. Zhang, C. Minot, M.S.
Altman and M.A. Van Hove
Phys. Rev. B, to be published
Single-molecule resolution of an organometallic intermediate
in a surface-supported Ullmann coupling reaction
W.H. Wang, X.Q. Shi, S.Y. Wang, M.A. Van Hove and N. Lin
J. Am. Chem. Soc. Comm.
133,
13264-13267 (2011)
http://dx.doi.org/10.1021/ja204956b
Thermally Activated Transformation of the Adsorption
Configurations of a Complex Molecule on a Cu(111) Surface
X.Q. Shi, W.H. Wang, S.Y. Wang, N. Lin and M.A. Van Hove
Catalysis Today
177,
50-54 (2011)
http://dx.doi.org/10.1016/j.cattod.2011.03.072
Ab initio
atomistic prediction of charge separation in bent silicon
nanostructures
C.S. Guo and M.A. Van Hove
J. Phys.
Chem. C 115, 4516–4522 (2011)
http://pubs.acs.org/doi/abs/10.1021/jp111010v
2010
LETTER:
Complex
Molecules on a Flat Metal Surface: Large Distortions Induced
by Chemisorption Can Make Physisorption Energetically More
Favorable
X.Q. Shi,
R.Q. Zhang, C Minot, K. Hermann, M.A. Van Hove, W.H. Wang
and N. Lin
J. Phys.
Chem. Letters 1, 2974–2979 (2010)
http://pubs.acs.org/doi/full/10.1021/jz1011753
download
e-preprint 425
LETTER:
Manipulating Localized Molecular Orbitals by Single-Atom
Contacts
W.H. Wang,
X.Q. Shi, C.S. Lin, R.Q. Zhang, C. Minot, M.A. Van Hove, Y.N.
Hong, B.Z. Tang and N. Lin
Phys. Rev.
Lett. 105, 126801 (2010)
http://link.aps.org/doi/10.1103/PhysRevLett.105.126801
Structural
Analysis and Electronic Properties of Negatively Charged
TCNQ: 2D Networks of (TCNQ)2Mn Assembled on
Cu(100)
X.Q. Shi,
C.S. Lin, C. Minot, T.-C. Tseng, S.L. Tait, N. Lin, R.Q.
Zhang, K. Kern, J.I. Cerdá, and M.A. Van Hove
J. Phys.
Chem. C 114, 17197-17204 (2010)
http://pubs.acs.org/doi/abs/10.1021/jp104954w
Electron
Stimulation of Internal Torsion of a Surface-Mounted
Molecular Rotor
W.H. Wang,
X.Q. Shi, M.C. Jin, C. Minot, M.A. Van Hove, J.-P. Collin
and N. Lin
ACS Nano
4, 4929-4935 (2010)
http://pubs.acs.org/doi/full/10.1021/nn101330c
A Standard
Format for Reporting Atomic Positions: Further Needs and
Options
M.A. Van Hove, K. Hermann, P.R. Watson, D.P. Woodruff, S.Y.
Tong, R.D. Diehl, K. Heinz, C. Minot, H. Tochihara
Surf. Sci.
604, 1544–1547 (2010)
http://dx.doi.org/10.1016/j.susc.2010.06.017
download
e-preprint 426
Prospects for
Resolving Chemical Structure by Atomic Force Microscopy: A
First-Principles Study
C.S. Guo,
M.A. Van Hove, R.Q. Zhang and C. Minot
Langmuir
26, 16271-16277 (2010)
http://pubs.acs.org/doi/full/10.1021/la101317s
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e-preprint 422
LETTER:
Inspecting Metal-Coordination-Induced Pertubation of
Molecular Ligand Orbitals at a Submolecular Resolution
W.H. Wang, Y.N. Hong, X.Q. Shi, C. Minot, M.A. Van Hove, B.Z.
Tang, and N. Lin
J. Phys.
Chem. Letters
1,
2295-2298 (2010)
http://pubs.acs.org/doi/pdf/10.1021/jz100855k
download
e-preprint 424
LETTER:
Optimal
Electron Doping of a C60 Monolayer on Cu(111) via
Interface Reconstruction
W.W.
Pai, H.T. Jeng, C.-M. Cheng, C.-H. Lin, X.D. Xiao, A.D.
Zhao, X.Q. Zhang, Xu Geng, X.Q. Shi, M.A. Van Hove, C.-S.
Hsue, and K.-D. Tsuei
Phys. Rev. Lett. 104,
036103 (2010)
http://dx.doi.org/10.1103/PhysRevLett.104.036103
download
e-preprint 411
2009
Stacking of
Polycyclic Aromatic Hydrocarbons as Prototype for Graphene
Multilayers, Studied Using DFT Augmented with a Dispersion
Term
C.
Feng, C.S. Lin, W. Fan, R.Q. Zhang, and M.A. Van Hove
J.
Chem. Phys. 131, 194702 (2009)
http://dx.doi.org/10.1063/1.3251785
download
e-preprint 413
Two-Dimensional Metal-Organic Coordination Networks of
Mn-7,7,8,8-tetracyanoquinodimethane (TCNQ) Assembled on Cu
(100): Structural, Electronic and Magnetic Properties
T.-C.
Tseng, C.S. Lin, X.Q. Shi, S.L. Tait, X. Liu, U. Starke, N.
Lin, R.Q. Zhang, C. Minot, M.A. Van Hove, J.I. Cerdá and K.
Kern
Phys. Rev. B
80, 155458 (2009)
http://dx.doi.org/10.1103/PhysRevB.80.155458
download
e-preprint 417
Significant
Negative Differential Resistance Predicted in Scanning
Tunneling Spectroscopy for a C60 Monolayer on a Metal
Surface
X.Q. Shi,
W.W. Pai, X.D. Xiao, J.I. Cerdá, R.Q. Zhang, C. Minot, and M.A. Van Hove
Phys. Rev. B
80, 075403 (2009)
http://dx.doi.org/10.1103/PhysRevB.80.075403
download
e-preprint 418
Atomic-Scale
Structure: from Surfaces to Nanomaterials
M.A. Van Hove
Surf.
Sci. 603,
1301-1305 (2009)
http://dx.doi.org/10.1016/j.susc.2008.09.055
download
e-preprint 415
2008
Scaling
behavior of Genetic Algorithms applied to surface structural
determination by LEED
M.L.
Viana, W. Simoes e Silva, E.A. Soares, V.E. de Carvalho,
C.M.C. de Castilho, and M.A. Van Hove
Surf.
Sci. 602,
3395-3402 (2008)
http://dx.doi.org/10.1016/j.susc.2008.09.017
download
e-preprint 416
Theory of
Low-Energy Electron Diffraction for Nanomaterials –
Subclusters, Automated Searches
G.M.
Gavaza, Z.X. Yu, M.A. Van Hove, and S.Y. Tong
J. Phys. CM
20,
304202:1-6 (2008)
http://dx.doi.org/10.1088/0953-8984/20/30/304202
download
e-preprint 412
Mechanical
Property of C60 Solid Studied with DFTB
Implemented with an Empirical Dispersion Term
Chao Feng,
Chong Zhang, R.Q. Zhang, Th. Frauenheim, and M.A. Van Hove
J. Phys. CM
20, 275240:1-7 (2008)
http://dx.doi.org/10.1088/0953-8984/20/27/275240
download
e-preprint 414
2007
Global Search in
Photoelectron Diffraction Structure Determination Using Genetic
Algorithms
M.L. Viana, R. Díez
Muiño, E.A. Soares, M.A. Van Hove, and V.E. de Carvalho
J. Phys. CM
19, 446002:1-14 (2007)
http://dx.doi.org/10.1088/0953-8984/19/44/446002
download
e-preprint 410
Theory of Low-Energy
Electron Diffraction for Detailed Structural Determination of
Nanomaterials: Finite-Size and Disordered Structures
G.M.
Gavaza, Z.X. Yu, L. Tsang, C.H. Chan, S.Y. Tong and M.A. Van Hove
Phys. Rev. B
75,
235403:1-9
(2007)
http://dx.doi.org/10.1103/PhysRevB.75.235403
Also
in: Virtual Journal of Nanoscale Science & Technology (AIP), Volume
15, Issue 24, 18
June
2007
http://www.vjnano.org
download
e-preprint 406
The
Structure of the CoS2(100)-(1x1) Surface
Z.X.
Yu, M.A. Van Hove, S.Y. Tong, David Wisbey, Ya. B. Losovyj, Ning Wu, M.
Manno, L. Wang, C.Leighton, W.N. Mei, and P.A. Dowben
J. Phys. CM
19, 156223:1-9 (2007)
http:/stacks.iop.org/JPhysCM/19/156223
download
e-preprint 405
Theory
of Low-Energy Electron Diffraction for Detailed Structural Determination of Nanomaterials: Ordered Structures
G.M.
Gavaza, Z.X. Yu, L. Tsang, C.H. Chan, S.Y. Tong and M.A. Van Hove
Phys. Rev. B
75, 014114 :1-11 (2007)
http://dx.doi.org/10.1103/PhysRevB.75.014114
Also
in: Virtual Journal of Nanoscale Science & Technology (AIP), Volume
15, Issue 6, 12 Feb. 2007
http://www.vjnano.org
download
e-preprint 404
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