Prof. Michel A. Van Hove

Director; Head and Chair Professor in Physics

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Contact Information

 

Institute of Computational and Theoretical Studies (Director)

and Department of Physics (Head)

Hong Kong Baptist University

224 Waterloo Road

Kowloon, Hong Kong

 

Office Physics: SCT924 (9th floor, Cha Chi-Ming Science Tower, 

                 Ho Sin Hang campus)

Phone:      +(852) 3411 7029

Fax:          +(852) 3411 5813

 

Office ICTS: FSC1006 (10th floor, Fong Shu Chuen Bldg, 

                 Ho Sin Hang campus)

Phone:      +(852) 3411 2766

Fax:          +(852) 3411 2761

 

Email:       vanhove@hkbu.edu.hk

 

Web:         Personal: www.icts.hkbu.edu.hk/vanhove/

                 Institute: www.icts.hkbu.edu.hk    

                 Department of Physics: http://physics.hkbu.edu.hk/    

                 Faculty of Science: www.sci.hkbu.edu.hk/    

                 University: www.hkbu.edu.hk/ 

Directions to HKBU:  www.hkbu.edu.hk

 

Directions to our ICTS offices:  www.icts.hkbu.edu.hk/#Contact

 

Wikimapia view of HKBU, centered on ICTS in FSC Building: 

wikimapia.org/#lat=22.3402704&lon=114.1801105&z=19&l=0&m=b

 

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Degrees

 

1969   Diplom-Physiker - Federal Institute of Technology, Zuerich, Switzerland

1974   Ph.D. in Theoretical Solid State Physics - University of Cambridge, Cavendish Laboratory, Cambridge, UK

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Honors

 

1971-1974   Predoctoral Fellowship (Aspirant), Fonds National de la Recherche Scientifique (Belgium)

1986            Visiting Senior Scientist, University of Wisconsin-Milwaukee

1987-2002   Member, New York Academy of Sciences

1990-1991   Research Fellow, Japan Society for Promotion of Science

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)

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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, most recently 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. 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 current focus area is molecular machines, both 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.

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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

- 1999-2005  Lawrence Berkeley National Laboratory, Advanced Light Source – Senior Scientist

- 2002-2005  Lawrence Berkeley National Laboratory, Molecular Foundry – Affiliated Scientist

- 2005-2011  City University of Hong Kong, Department of Physics and Materials Science – Head of Department

- 2005-2012  City University of Hong Kong, Department of Physics and Materials Science – Chair Professor of Physics

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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)

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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

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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)

2007-   Communications in Computational Physics - CiCP (Hong Kong)

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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-             General Education course "Everyday Physics for Future Executives"

                          at HKBU (GDSC1847/GDBU1847) 

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Publications

 

Statistics (as of April 2016):

- 392 publications, incl. 11 books, 10 edited proceedings, 55 reviews and book chapters, 35 letters, 246 regular articles, 29 proceedings articles, 6 reports incl. thesis.

- over 13,600 citations, h-index 68 (from SCI ResearcherID: A-9862-2008).

 

Recent publications (latest first, as of Nov 2016):

2016

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. Ton

           J. Phys. Chem. C XX, xxx (2016)

   
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 XX, xxx (2016)

           http://dx.doi.org/10.1039/C6CP05996A

 

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

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 11914195 (2015)

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

 

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

 

  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://link.aps.org/doi/10.1103/PhysRevB.91.045425

 

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.89.235403

 

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 68943 (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 vacancies

           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. B 86, 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 85, 075421 (2012)

           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

 

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

            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

            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

 

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

 

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/doi:10.1088/0953-8984/18/39/002

            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

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Useful links

 

Surface Structure Information web site, including ICSOS conferences

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