Prof. Michel A. Van Hove

Emeritus Chair Professor in Physics and Ex-Director, Institute of Computational and Theoretical Studies, Hong Kong Baptist University


Degrees

1969 Diplom-Physiker - Federal Institute of Technology , Zürich, Switzerland
1974 Ph.D. in Theoretical Solid State Physics - University of Cambridge , Cavendish Laboratory , Cambridge, UK

Honors

1971-1974 Predoctoral Fellowship (Aspirant),Fonds National de la Recherche Scientifique (Belgium)
1986 Ph.D. in Theoretical Solid State Physics - University of Cambridge , Cavendish Laboratory , Cambridge, UK
1987-2002 Member , New York Academy of Sciences
1991 Department of Energy Award for Sustained Outstanding Research in Materials Chemistry
1994 Invited Professor, University of Paris 6 (Université Pierre et Marie Curie)
1994 Fellow of the American Vacuum Society
1994 Fellow of the American Physical Society
1995 Invited Professor , Technical University of Eindhoven
1996 Outstanding Performance Award , Lawrence Berkeley National Laboratory
1996 Invited Professor , Université Aix-Marseille, Luminy
1996 Invited Professor , University of Hong Kong
1998 Department of Energy Award for Outstanding Scientific Accomplishments in Materials Chemistry
2004-2008 Fellow , Institute of Physics UK
2008 Surface Structure Prize, International Conference on the Structure of Surfaces
2008 Ernst Mach Honorary Medal for Merit in the Physical Sciences, Acad. Sci. Czech Rep.
2012 China "Thousand Talent" position awarded (declined by me)
1990-1991 Research Fellow , Japan Society for Promotion of Science

Profile

Michel Van Hove's research has focused on the determination of the atomic-scale structure and bonding at solid surfaces and in nanostructures, in order to establish the atomistic basis of surface science, nanoscience and their many technological applications (catalysis, electronic devices, corrosion, tribology, etc.). He developed and implemented powerful novel methods of electron scattering theory and computation, including for nanostructures. In particular, electron diffraction and holography have been developed for structural determination of surfaces and interfaces. He also played a central role in producing a database of solved surface structures.

His work furthermore addressed the use of synchrotron radiation to materials science, particularly using photoelectron diffraction and holography. He has also conducted research on the theory of scanning tunneling microscopy (STM) and atomic force microscopy (AFM), in order to enable the interpretation of atomic-resolution images. His studies have included total-energy calculations of adsorption at surfaces, ab initio modeling of quantum well states of relevance to magnetic ultrathin films, and the simulation and investigation of segregation phenomena in bimetallic alloy nanoparticles.

His most recent focus area is molecular machines, both reciprocating (muscle-like) and rotational. He has produced or co-produced a series of software packages and a surface structure database, available on the web: see below.


Prior positions

- 1969-1970 Philips Research Laboratories, Eindhoven, The Netherlands – Research Assistant
- 1974-1976 University of Wisconsin-Milwaukee, Dept. of Physics – Postdoctoral Fellow
- 1976-1977 California Institute of Technology, Dept. of Chem. Engineering – Postdoctoral Fellow
- 1977-1978 University of Munich, Inst. of Physical Chemistry and Inst. of Crystallography and Mineralogy – Postdoctoral Fellow
- 1978-2005 Lawrence Berkeley National Laboratory (University of California), Materials Sciences Division – Senior Scientist
- 1986 University of Wisconsin-Milwaukee, Lab. for Surface Studies – Visiting Senior Scientist
- 1990 University of California at Berkeley, Dept. of Materials Science and Mineral Engineering – Lecturer
- 1994 Université Pierre et Marie Curie (Paris 6), France, Dept. of Theoretical Chemistry – Invited Professor
- 1995 Technical University of Eindhoven , The Netherlands,Dept. of Chemistry – Invited Professor
- 1996 San Jose State University, California, Dept. of Physics – Lecturer
- 1996 Université Aix-Marseille, Luminy, France, Dept. of Physics – Invited Professor
- 1996 University of Hong Kong , Hong Kong, Dept. of Physics – Invited Professor
- 1998-2005 University of California at Davis ,Department of Physics – Adjunct Professor
- 1998-2005 Lawrence Berkeley National Laboratoryg , Advanced Light Source – Senior Scientist
- 2002-2005 Lawrence Berkeley National Laboratory , Molecular Foundry – Affiliated Scientist
- 2005-2011 City University of Hong Kong , Dept. of Physics – Head of Department
- 2005-2012 City University of Hong Kong , Dept. of Physics – Chair Professor of Physics
- 2012-2019 Hong Kong Baptist University , Institute of Theoretical and Computational Studies – Director
- 2012-2019 Hong Kong Baptist University , Department of Physics – Chair Professor
- 2014-2016 Hong Kong Baptist University , Department of Physics – Acting Head of Department
- 2016-2018 Hong Kong Baptist University , Department of Physics – Head of Department

On-line interactive software

- Photoelectron Diffraction intensity computation (PED): EDAC (some restrictions apply; by F.J. Garcia de Abajo)

- Visualizer of bulk-terminated crystalline surface structures : Surface Explorer on-line (by F. Rammer and K. Hermann; licensed version Balsac also available: see below)


Software for download, database and picture gallery

Software for download (all free):

- Graphical LEED pattern simulator : LEEDpat (executable for Windows; by K. Hermann and M.A. Van Hove; on-line version also available: see above)

- Low-Energy Electron Diffraction intensity computation, with phase shift calculation and data : LEED , including conventional LEED, ATLEED, SATLEED, SATCLEED, MSATLEED, ATLMLEED (FORTRAN source code; by M.A. Van Hove, J.B. Pendry, S.Y. Tong, P.J. Rous, A. Wander, A. Barbieri, G. Ketteler et al)

- Photoelectron Diffraction intensity computation (PED): MSCD (C++ source code and executables; by Y. Chen) - Atomic-Scale Holography with Photoelectrons (PEH) and X-rays (XRH): Holographic package for atomic-scale reconstruction (FORTRAN source code; by P.M. Len)

- Relaxation Energies in Photoemission : REPS (C++ source code; by Y. Chen)

- Surface graphics software : SARCH, LATUSE, PLOT3D package (executables for DOS; by M.A. Van Hove and K. Hermann)

Software for download (for a fee):

- Surface graphics software : Balsac (PC-based software to construct lattice sections with extended graphical display and analysis options, by K. Hermann)

Database of surface structures (free):

- Open Surface Structure Database (a free open-access collection of quantitative surface structures published 1974 - 2004): oSSD (executable for Windows; by P.R. Watson, M.A. Van Hove and K. Hermann), formerly known as SSD distributed by NIST

Picture gallery of surface structures:

- a collection of illustrations of surface structures


Editorial Board service (current)

1993 - Surface Review and Letters - SRL (World Sci. Publ. Co., Singapore)

1993 - Physics of Low-Dimensional Structures - PLDS (VSV Co. Ltd., Moscow)

2001 - International Journal of Nanoscience - IJN (World Sci. Publ. Co., Singapore)

2005 - e-Journal of Surface Science and NanoTechnology - e-JSSNT (Surface Science Society of Japan, Tokyo)


Teaching experience

1972-1973 Teaching assistant at University of Cambridge
1975-1976 Undergraduate physics course at University of Wisconsin
1978-2005 Substitute teaching at undergraduate and graduate levels at University of California-Berkeley
1990 Upper-division course in Dept. of Materials Science at University of California-Berkeley
1996 Mid-level course on Surfaces at San Jose State University
2000-2004 Graduate course on Surface Physics of Materials at University of California-Davis
2006-2012 Undergraduate course "Foundation Physics" for Mainland Chinese and foreign students at CityU (AP1200)
2008-2012 Undergraduate course "Simulation and Modeling in Materials Science" at CityU (AP4172/6172/8172)
2012 General Education course "Everyday Physics: Its Impact on You and Society" at CityU (GE1305)
2012 MSc course "Physics for Green Technology" at HKBU (PHYS7410)
2013-2018 General Education course "Everyday Physics for Future Executives" at HKBU (GDSC1847/GDBU1847)

Publications

Statistics (as of Dec 2019):

- 402 publications, incl. 11 books, 10 edited proceedings, 55 reviews and book chapters, 36 letters, 255 regular articles, 29 proceedings articles, 6 reports incl. thesis.
- over 15,487 citations, h-index 73 (from SCI ResearcherID: A-9862-2008).

2021
BOOK: Surface Structure Determination by LEED and X-rays

Wolfgang Moritz and Michel A. Van Hove

Cambridge University Press (Cambridge) 2021, in press

BOOK: Everyday Physics - Colors, Light and Optical Illusions

Michel A. Van Hove

World Scientific Publishing Co. (Singapore) 2021, in press

2020
Controlling the Rotational Barrier of Single Porphyrin Rotors on Surfaces

Q.S. Zhang, R. Pang, T.F. Luo and M.A. Van Hove

J. Phys. Chem. B 124, 953-960 (2020).

https://doi.org/10.1021/acs.jpcb.9b09986

Nanomechanics of a Hydrogen Molecule Suspended between Two Equally Charged Tips

W. Schattke, T. Frederiksen, M.A. Van Hove and R. Díez Muiño

Phys. Rev. B 101, 195436 (2020).

http://dx.doi.org/10.1103/PhysRevB.101.195436

2019
Soft Nanohand Grabs a Growing Nanoparticle

Ken Cham-Fai Leung, Xiaobo Li, Xuan Li, Siu-Fung Lee, Klaus E. Hermann, Jimmy C. Yu, Paula M. Mendes, and M.A. Van Hove

Mat. Chem. Frontiers. 3, 1555-1564 (2019)

http://dx.doi.org/10.1039/c9qm00132h

Unusual self-assembly of chloroaluminium phthalocyanine on graphite

H.Y. Ma, Y.L. Zhao, M.W. Zaw, J.F. Jia, R.Q. Zhang, and M.A. Van Hove

Surf. Sci. 681, 104-110 (2019)

https://doi.org/10.1016/j.susc.2018.11.010

Substrate-mediated and temperature-modulated long-range interactions between bromine adatom stripes on Cu(111)

Y.L. Zhao, R.D. Zhao, F. Qi, R.Q. Zhang, and M.A. Van Hove

Appl. Surf. Sci. 463, 253-260 (2019)

https://doi.org/10.1016/j.apsusc.2018.08.168

2018
Fragment Motion in Motor Molecules: Basic Concepts and Application to Intra-Molecular Rotations

K. Hermann, F. Qi, R.D. Zhao, R.Q. Zhang, and M.A. Van Hove

Physical Chemistry Chemical Physics 20, 21487-21497 (2018)

https://doi.org/10.1039/c8cp03076f

Interlocking molecular gear chains built on surfaces

R.D. Zhao, F. Qi, Y.L. Zhao, K. Hermann, R.Q. Zhang and M.A. Van Hove

J. Phys. Chem. Letters 9, 2611-2619 (2018)

https://doi.org/10.1021/acs.jpclett.8b00676

Interlocking mechanism between molecular gears attached to surfaces

R.D. Zhao, Y.L. Zhao, F. Qi, K. Hermann, R.Q. Zhang and M.A. Van Hove

ACS Nano 12, 3020-3029 (2018)

http://dx.doi.org/10.1021/acsnano.8b00784

Higher-Generation Type III-B Rotaxane Dendrimers with Controlling Particle Size in Three-Dimensional Molecular Switching

Chak-Shing Kwan, Rundong Zhao, Michel A. Van Hove, Zongwei Cai, and Ken Cham-Fai Leung

Nat. Comm. 9, 497:1-9 (2018)

http://dx.doi.org/10.1038/s41467-018-02902-z

2017
Donor/Acceptor Properties of Aromatic Molecules in Complex Metal-Molecule Interfaces

Y.L. Zhao, W.H. Wang, F. Qi, J.F. Li, G.W. Kuang, R.Q. Zhang, N. Lin and M.A. Van Hove

Langmuir 33, 451-458 (2017)

http://dx.doi.org/10.1021/acs.langmuir.6b02649

2016
Exploring Molecules Beyond CO as Tip Functionalizations In High-Resolution Non-Contact Atomic Force Microscopy: A First-Principles Approach

X.J Xin, L.Y. Gan, M.A. Van Hove X.G. Ren, H.Y. Wang, C.S. Guo, and Y. Zhao

ACS Omega 1, 1004-1009 (2016)

http://dx.doi.org/10.1021/acsomega.6b00168

Observation and Analysis of Ordered and Disordered Structures on the ZnO(0001) Polar Surface

H. Xu, L. Dong, X.Q. Shi, Y. Liu, M.A. Van Hove, N. Lin and S.Y. Tong

J. Phys. Chem. C 120, 26915 (2016)

http://dx.doi.org/10.1021/acs.jpcc.6b09217

Intramolecular Torque, an Indicator of the Internal Rotation Direction of Rotor Molecules and Similar Systems

R.Q. Zhang, Y.L. Zhao, F. Qi, K. Hermann and M.A. Van Hove

First published as arXiv:1607.00593 [physics.chem-ph]

Physical Chemistry Chemical Physics 18, 29655 (2016)

http://dx.doi.org/10.1021/acsomega.6b00168

Manipulating Magnetism at Organic/Ferromagnetic Interfaces by Fullerene-Induced Surface Reconstruction

R. Pang, X.Q. Shi and M.A. Van Hove

J. Am. Chem. Soc. 138, 4029 (2016)

http://dx.doi.org/10.1021/jacs.5b10967

Computational Prediction of Optimal Metal Ions to Induce Coordinated Polymerization of Muscle-Like [c2]Daisy Chains

Y. L. Zhao, R.Q. Zhang, C. Minot, K. Hermann and M.A. Van Hove

Physical Chemistry Chemical Physics 18, 7419 (2016)

http://dx.doi.org/10.1039/C5CP07772A

2015
Revealing Highly Unbalanced Energy Barriers in Extension and Contraction of the Muscle-like Motion of a [c2]Daisy Chain

Y.L. Zhao, R.Q. Zhang, C. Minot, K. Hermann and M.A. Van Hove

Physical Chemistry Chemical Physics 17, 18318 (2015)

http://dx.doi.org/10.1039/C5CP00315F

Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defects

J.C. Ren, Z.G. Wang, R.Q. Zhang, Z.J. Ding and M.A. Van Hove

Physical Chemistry Chemical Physics 17, 30744 (2015)

http://dx.doi.org/10.1039/c5cp03764f

Origin of the Contrast Interpreted as Intermolecular and Intramolecular Bonds in Atomic Force Microscopy Images

C.S. Guo, X.J. Xin, M.A. Van Hove, X.-G. Ren and Y. Zhao

J. Phys. Chem. C 119, 14195 (2015)

http://dx.doi.org/10.1021/acs.jpcc.5b02649

Self-doping and magnetic ordering induced by extended line defects in graphene

J.C. Ren, Z.J. Ding, R.Q. Zhang and M.A. Van Hove

Phys. Rev. B 91, 045425 (2015)

http://dx.doi.org/10.1039/C5CP00315F

High-resolution model for noncontact atomic force microscopy with a flexible molecule on the tip apex

C.S. Guo, M.A. Van Hove, X.-G. Ren and Y. Zhao

J. Phys. Chem. C 119, 1483 (2015)

http://dx.doi.org/10.1021/jp511214e

2014
Symmetry-dependent band gap opening in graphene induced by g-C3N4 substrates

J.C. Ren, R.Q. Zhang, Z.J. Ding and M.A. Van Hove

RSC Advances 4, 64577 (2014)

http://dx.doi.org/10.1039/C4RA12626B

Stabilizing Forces Acting on ZnO Polar Surfaces: STM, LEED, and DFT

H. Xu, L. Dong, X.Q. Shi, M.A. Van Hove, W.K. Ho, N. Lin, H.S. Wu and S.Y. Tong

Phys. Rev. B 89, 235403 (2014)

http://dx.doi.org/10.1103/PhysRevB.89.235403B

Novel genetic algorithm search procedure for LEED surface strucuture determination

M.L. Viana, D.D. dos Reis, E.A. Soares, M.A. Van Hove, W. Moritz and V.E. de Carvalho

J. Phys. CM 26, 225005 (2014)

http://dx.doi.org/10.1088/0953-8984/26/22/225005

Strong slip-induced anomalous enhancement and red-shifts in wide-range optical absorption of graphite under uniaxial pressure

J.C. Ren, R.Q. Zhang, Z.J. Ding and M.A. Van Hove

Nanoscale 6, 8943 (2014)

http://dx.doi.org/10.1039/C4NR01940G

2013
Cooperative modulation of electronic structures of aromatic molecules coupled to multiple metal contacts

W.H. Wang, X.Q. Shi, S.Y. Wang, J. Liu, M.A. Van Hove, P.N. Liu, R.Q. Zhang and N. Lin

Phys. Rev. Lett. 110, 046802 (2013)

http://link.aps.org/doi/10.1103/PhysRevLett.110.046802

Green emission in ZnO nanostructures – Examination of the roles of oxygen and zinc vacanciese

Y.H. Leung, X.Y. Chen, A.M.C. Ng, M.Y. Guo, F.Z. Liu, A.B. Djurišić, W.K. Chan, X.Q. Shi and M.A. Van Hove

Appl. Surf. Sci. 271, 202-209 (2013)

http://dx.doi.org/10.1016/j.apsusc.2013.01.160

2012
Inducing Extended Line Defects in Graphene by Linear Adsorption of C and N Atoms

Y. Li, R.Q. Zhang, Z.J. Lin and M.A. Van Hove

Appl. Phys. Lett. 101, 253105 (2012)

http://link.aip.org/link/doi/10.1063/1.4772212

A Random Rotor Molecule: Vibrational Analysis and Molecular Dynamics Simulations

Y. Li, R.Q. Zhang, X.Q. Shi, Z.J. Lin and M.A. Van Hove

J. Chem. Phys. 137, 234302 (2012)

http://link.aip.org/link/doi/10.1063/1.4769779

Interactions between Organics and Metal Surfaces in the Intermediate Regime between Physisorption and Chemisorption

X.Q. Shi, Y. Li, M.A. Van Hove and R.Q. Zhang

J. Phys. Chem. C 116, 23603-23607 (2012)

http://dx.doi.org/10.1021/jp310007v

Atomic Nitrogen Chemisorption on Graphene With Extended Line Defects

Y. Li, J.C. Ren, R.Q. Zhang, Z.J. Lin and M.A. Van Hove

J. Mat. Chem. 22, 21167-21172 (2012)

http://dx.doi.org/10.1039/c2jm35345h

Detailed Low-Energy Electron Diffraction Analysis of the (4×4) Surface Structure of C60 on Cu(111): Seven-Atom-Vacancy Reconstruction

Geng Xu, X.Q. Shi, R.Q. Zhang, W.W. Pai, H.T. Jeng and M.A. Van Hove

Phys. Rev. B86, 075419 (2012)

http://link.aps.org/doi/10.1103/PhysRevB.86.075419

supplemental material: http://link.aps.org/supplemental/10.1103/PhysRevB.86.075419

Energetics and Dynamics of a New Type of Extended Line Defects in Graphene

Y. Li, R.Q. Zhang, Z.J. Lin and M.A. Van Hove

Nanoscale 4, 2580-2583 (2012)

http://dx.doi.org/10.1039/C2NR30185G

Survey of Structural and Electronic Properties of C60 on Close-Packed Metal Surfaces

X.Q. Shi, R.Q. Zhang and M.A. Van Hove

J. Mat. Sci. 47, 7341-7355 (2012)

open access: http://dx.doi.org/10.1007/s10853-012-6361-y

Adsorbate-Induced Reconstruction by C60 on Close-Packed Metal Surfaces: Mechanism for Different Types of Reconstruction

X.Q. Shi, M.A. Van Hove and R.Q. Zhang

Phys. Rev. B 85Phys. Rev. B

http://dx.doi.org/10.1103/PhysRevB.85.075421

supplemental material: http://prb.aps.org/supplemental/PRB/v85/i7/e075421

Substrate Mediated Stabilization of Methylphosphonic Acid on ZnO Non-Polar Surfaces

X.Q. Shi, H. Xu, M.A. Van Hove, N.H. Moreira, A.L. da Rosa and Th. Frauenheim

Surf. Sci. 606, 289-292 (2012)

http://dx.doi.org/10.1016/j.susc.2011.10.006

2011
A Distinctive Feature of the Surface Structure of Quasicrystals: Intrinsic and Extrinsic Surface Heterogeneity

P.A. Thiel, B. Unal, C.J. Jenks, A.I. Goldman, P.C. Canfield, T.A. Lograsso, J.W. Evans, M. Quiquandon, D. Gratias and M.A. Van Hove

Israel J. of Chem. 51, 1326-1339 (2011)

http://dx.doi.org/10.1002/ijch.201100148

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 84, 235406 (2011)

http://dx.doi.org/10.1103/PhysRevB.84.235406

supplemental material: http://link.aps.org/supplemental/10.1103/PhysRevB.84.235406

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

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

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

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

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

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. Cerda, 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

XM.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

download 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. Cerda 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. Cerda, 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

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

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

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

2006
Observation and Resonant X-ray Optical Interpretation of Multi-Atom Resonant Photoemission Effects in O1s Emission from NiO

N. Mannella, S.-H. Yang, B.S. Mun, F.J. Garcia de Abajo, A.W. Kay, B.C. Sell, M. Watanabe, H. Ohldag, E. Arenholz, A.T. Young, Z. Hussain, M.A. Van Hove and C.S. Fadley

Phys. Rev. B 74, 165106:1-11 (2006)

http://dx.doi.org/10.1103/PhysRevB.74.165106

Using Pattern Search Methods for Surface Structure Determination of Nanomaterials

Z. Zhao, J.C. Meza and M.A. Van Hove

J. Phys. Condens. Matter 18, 8693-8706 (2006)

http://dx.doi.org/10.1103/PhysRevB.74.165106

download e-preprint 400

LETTER: Efficient Calculation of Electron Diffraction for the Structural Determination of Nanomaterials

G.M. Gavaza, Z.X. Yu, L. Tsang, C.H. Chan, S.Y. Tong and M.A. Van Hove

Phys. Rev. Lett. . 97, 055505:1-4 (2006)

http://dx.doi.org/10.1103/PhysRevLett.97.055505

Also in: Virtual Journal of Nanoscale Science & Technology (AIP), Volume 14, Issue 7, 14 Aug. 2006 http://www.vjnano.org/

download e-preprint 403

REVIEW: From Surface Science to Nanotechnology

M.A. Van Hove

Catalysis Today, 113, 133-140 (2006)

http://dx.doi.org/10.1016/j.cattod.2005.11.059

download e-preprint 396

Non-Free-Electron Momentum- and Thickness-Dependent Evolution of Quantum-Well States in the Cu/Co/Cu(001) System

E. Rotenberg, Y.Z. Wu, J.M. An, M.A. Van Hove, A. Canning, L.-W. Wang and Z.Q. Qiu

Phys. Rev. B 73, 075426 (2006) .

http://dx.doi.org/10.1103/PhysRevB.73.075426

Also in: Virtual Journal of Nanoscale Science & Technology (AIP), Volume 13, Issue 9, Mar. 6, 2006 http://www.vjnano.org/

download e-preprint 398

X-ray Photoelectron Diffraction Study of Cu(111): Multiple Scattering Investigation

L. Despont, D. Naumović, F. Clerc, C. Koitzsch, M.G. Garnier, F.J. Garcia de Abajo, M.A. Van Hove and P. Aebi

Surf. Sci. 600, 380-385 (2006)

http://dx.doi.org/10.1016/j.susc.2005.10.038

download e-preprint 402

X-ray Photoelectron Diffraction on PbTiO3

L. Despont, F. Clerc, C. Koitzsch, M.G. Garnier, P. Aebi, C. Lichtensteiger, J.-M. Triscone, F.J. Garcia de Abajo, M.A. Van Hove and D. Naumović

Eur. Phys. J. B 49, 141-146 (2006)

http://dx.doi.org/10.1140/epjb/e2006-00050-0

2005
REVIEW: Electron Diffraction

L. Marton, M.A. Van Hove and M.A. O'Keefe

in Encyclopedia of Physics, Eds. R.G. Lerner and G.L. Trigg, Wiley-VCH (Weinheim) 2005, p. 616-621.

http://www.wiley-vch.de/publish/en/books/bySubjectPH00/ISBN3-527-40554-2/

download e-preprint 395

REVIEW: Quantitative Prediction of Surface Segregation in Bimetallic Pt-M Alloy Nanoparticles (M=Ni, Re, Mo)

G. Wang, M.A. Van Hove, P.N. Ross and M.I. Baskes

Prog. Surf. Sci. 79, 28-45 (2005)

http://dx.doi.org/10.1016/j.progsurf.2005.09.003

download e-preprint 399

Surface Structures of Cubo-octahedral Pt-Mo Catalyst Nanoparticles from Monte Carlo Simulations

G. Wang, M.A. Van Hove, P.N. Ross and M.I. Baskes

J. Phys. Chem. 109, 11683-11692 (2005)

http://dx.doi.org/10.1021/jp050116n

download e-preprint 397

Monte Carlo Simulations of Segregation in Pt-Ni Catalyst Nanoparticles

G. Wang, M.A. Van Hove, P.N. Ross and M.I. Baskes

J. Chem. Phys. 122, 024706: 1-12 (2005)

http://dx.doi.org/10.1063/1.1828033

download e-preprint 386

2004
REVIEW: Determining the Surface and Interface Structure of Nanomaterials

M.A. Van Hove

Acta Physicae Superficierum, VI, 53-60 (2004)

http://repositories.cdlib.org/cgi/viewcontent.cgi?article=2445&context=lbnl

download e-preprint 393

Atomistic Simulations of fcc Pt75Ni25 and Pt75Re25 Cubo-octahedral Nanoparticles

G. Wang, M.A. Van Hove, P.N. Ross and M.I. Baskes

Mat. Res. Soc. Symp. Proc. 818, 89-94 (2004)

http://www.mrs.org/publications/epubs/proceedings/spring2004/m/index.html

download e-preprint 392

ELECTRONIC DATABASE: Surface Structure Database (SSD) Version 5

P.R. Watson, M.A. Van Hove and K. Hermann

NIST Surface Structure Database Ver. 5.0, NIST Standard Reference Data Program, Gaithersburg, MD, USA (2004)

http://www.nist.gov/srd/nist42.htm

Monte Carlo Simulations of Segregation in Pt-Re Catalyst Nanoparticles

G. Wang, M.A. Van Hove, P.N. Ross and M.I. Baskes

J. Chem. Phys. 121, 5410-5422 (2004)

http://dx.doi.org/10.1063/1.1781151

download e-preprint 391

Enhanced Vibrations at Surfaces with Back-Bonds Nearly Parallel to the Surface

M.A. Van Hove

in Festschrift in Honor of G. Ertl, Ed. H.-J. Freund, J. Phys. Chem. B 108, 14265-14269 (2004)

http://dx.doi.org/10.1021/jp040047x

download e-preprint 389

Highlighted in Editor's Choice, Science 304, 1417 (June 4, 2004)

http://www.sciencemag.org/content/vol304/issue5676/twil.shtml

Surface Sensitivity in Electron Spectroscopy: Coherent Versus Incoherent Scattering Models

W. Smekal, W.S.M. Werner, C.S. Fadley and M.A. Van Hove

J. El. Spectrosc. Rel. Phen. 137-140, 183-187 (2004)

http://dx.doi.org/10.1016/j.elspec.2004.02.107

Atomic Structure of the Cleaved Si(111)-(2x1) Surface Refined by Dynamical LEED

G. Xu, B.C. Deng, S.Y. Tong, M.A. Van Hove, F. Jona and I. Zasada

Phys. Rev. B 70, 045307 (2004)

http://dx.doi.org/10.1103/PhysRevB.70.045307

download e-preprint 390

Atomic Scale Structure of the 5-fold Surface of an AlPdMn Quasicrystal: a Quantitative X-Ray Photoelectron Diffraction Analysis

Jin-Cheng Zheng, C.H.A. Huan, and A.T.S. Wee, M.A. Van Hove, C.S. Fadley, F.J. Shi, E. Rotenberg, S.R. Barman, J.J. Paggel, K. Horn, Ph. Ebert and K. Urban

Phys. Rev. B 69, 134107 (2004)

http://dx.doi.org/10.1103/PhysRevB.69.134107

download e-preprint 384

2003 and earlier

See: http://www.researcherid.com/rid/A-9862-2008 or http://orcid.org/0000-0002-8898-6921


Useful links

Surface Structure Information web site, including ICSOS conferences