B. Meyer

发表

Observation of the dynamical change in a water monolayer adsorbed on a ZnO surface.

O. Dulub, B. Meyer, U. Diebold, 2005, Physical review letters.

Atomically resolved TEM imaging of covalently functionalised graphene

B. Meyer, A. Hirsch, P. Schweizer, 2022, npj 2D Materials and Applications.

Enhanced sampling and free energy calculations with hybrid functionals and plane waves for chemical reactions.

Sagarmoy Mandal, Bernd Meyer, B. Meyer, 2018, The Journal of chemical physics.

Composition, structure, and stability of the rutile TiO 2 (110) surface: Oxygen depletion, hydroxylation, hydrogen migration, and water adsorption

D. Marx, B. Meyer, P. Kowalski, 2009, 0902.0854.

Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.

B. Meyer, I. Imaz, D. Maspoch, 2019, Journal of the American Chemical Society.

Dynamic Covalent Formation of Concave Disulfide Macrocycles Mechanically Interlocked with Single‐Walled Carbon Nanotubes

B. Meyer, A. Hirsch, D. Guldi, 2020, Angewandte Chemie.

Influence of Tail Groups during Functionalization of ZnO Nanoparticles on Binding Enthalpies and Photoluminescence.

W. Peukert, B. Meyer, Jochen Schmidt, 2017, Langmuir : the ACS journal of surfaces and colloids.

Ab initio study of surface stresses of charged Au films

B. Meyer, P. Gumbsch, Y. Umeno, 2006 .

Ab initio study of surface stress response to charging

F. Evers, B. Meyer, P. Gumbsch, 2007, cond-mat/0702441.

Tuning the reactivity of oxide surfaces by charge-accepting adsorbates.

B. Meyer, A. Urban, M. Muhler, 2007, Angewandte Chemie.

Etching of Crystalline ZnO Surfaces upon Phosphonic Acid Adsorption: Guidelines for the Realization of Well-Engineered Functional Self-Assembled Monolayers.

B. Meyer, S. Dehnen, G. Witte, 2016, ACS applied materials & interfaces.

Dislocations in bilayer graphene

H. B. Weber, B. Meyer, D. Waldmann, 2013, Nature.

Hybrid Functional and Plane Waves based Ab Initio Molecular Dynamics Study of the Aqueous Fe2+/Fe3+ Redox Reaction.

B. Meyer, Sagarmoy Mandal, N. N. Nair, 2022, Chemphyschem : a European journal of chemical physics and physical chemistry.

Well-Ordered In Adatoms at the In_{2}O_{3}(111) Surface Created by Fe Deposition.

S. Gerhold, B. Meyer, U. Diebold, 2016, Physical review letters.

Atomic defects in the ordered compound B 2 -NiAl: A combination of ab initio electron theory and statistical mechanics

B. Meyer, M. Fähnle, 1999 .

Concave-Convex π-π Template Approach Enables the Synthesis of [10]Cycloparaphenylene-Fullerene [2]Rotaxanes.

B. Meyer, D. Guldi, R. Kaur, 2018, Journal of the American Chemical Society.

Formation of Highly Ordered Molecular Porous 2D Networks from Cyano‐Functionalized Porphyrins on Cu(111)

H. Steinrück, N. Jux, B. Meyer, 2020, Chemistry.

Controlling the Self-Metalation Rate of Tetraphenylporphyrins on Cu(111) via Cyano Functionalization.

H. Steinrück, N. Jux, B. Meyer, 2018, Angewandte Chemie.

Density-functional study of the structure and stability of ZnO surfaces

D. Marx, B. Meyer, 2002, cond-mat/0206549.

Ab initio study of ferroelectric domain walls in PbTiO 3

D. Vanderbilt, B. Meyer, Bernd Meyer, 2001, cond-mat/0109257.

Experimental and Theoretical Assessment of Ni‐Based Binary Compounds for the Hydrogen Evolution Reaction

M. Antonietti, B. Meyer, M. Shalom, 2017 .

Density-functional study of Cu atoms, monolayers, films, and coadsorbates on polar ZnO surfaces

D. Marx, B. Meyer, 2003, cond-mat/0303143.

CO2 activation by ZnO through the formation of an unusual tridentate surface carbonate.

B. Meyer, K. Kotsis, M. Muhler, 2007, Angewandte Chemie.

Hydrogen induced metallicity on the ZnO(1010) surface.

B. Meyer, F. Traeger, A. Birkner, 2005, Physical review letters.

First-principles study of the polar O-terminated ZnO surface in thermodynamic equilibrium with oxygen and hydrogen

B. Meyer, 2003, cond-mat/0302578.

Atomic defects in D 0 3 -Ni 3 Sb: An ab initio study

G. Bester, B. Meyer, M. Fähnle, 1998 .

Cubic C8 : An Observable Allotrope of Carbon?

Dmitry I. Sharapa, B. Meyer, T. Clark, 2015, Chemphyschem : a European journal of chemical physics and physical chemistry.

Theory of PbTiO3, BaTiO3, and SrTiO3 surfaces

D. Vanderbilt, B. Meyer, J. Padilla, 1999, cond-mat/9908363.

Integrating state of the art compute, communication, and autotuning strategies to multiply the performance of ab initio molecular dynamics on massively parallel multi-core supercomputers

Bernd Meyer, Tobias Klöffel, Gerald Mathias, 2021, Comput. Phys. Commun..

Water Structures Reveal Local Hydrophobicity on the In2O3(111) Surface

Christian L. Ritterhoff, J. Čechal, B. Meyer, 2022, ACS nano.

Structure and dynamics of CO overlayers on a hydroxylated metal oxide: the polar ZnO(0001) surface.

B. Meyer, C. Wöll, F. Traeger, 2006, Physical chemistry chemical physics : PCCP.

First-principles study of CO adsorption on ZnO surfaces

D. Marx, B. Meyer, 2003 .

Ab initio study of BaTiO 3 and PbTiO 3 surfaces in external electric fields

D. Vanderbilt, B. Meyer, 2000, cond-mat/0009288.

Electronic correlations, magnetism, and structure of Fe-Al subsystems: An LDA+U study

B. Meyer, C. Elsässer, F. Lechermann, 2004 .

Dominant thermal defects in B2–FeAl

G. Bester, B. Meyer, M. Fähnle, 2002 .

Effective formation energies of atomic defects in D03Fe3Al: an ab-initio study

G. Bester, B. Meyer, J. Mayer, 1997 .

Self-Assembly and Stability of Hydrogen-Bonded Networks of Bridged Triphenylamines on Au(111) and Cu(111)

B. Meyer, U. Meinhardt, Milan Kivala, 2015 .

Theory of atomic defects and diffusion in ordered compounds, and application to B2-FeAl

B. Meyer, J. Mayer, M. Fähnle, 1999 .

Diffusion in Metals and Intermetallic Compounds: The Impact of AB-INITIO Calculations

G. Bester, B. Meyer, J. Mayer, 1998 .

Master equations for the concentrations of atomic defects in B2 compounds

B. Meyer, M. Fähnle, 2002 .

Structural vacancies in B2 CoAl and NiAl

G. Bester, B. Meyer, M. Fähnle, 2001 .

Ab initio study of iron and iron hydride: II. Structural and magnetic properties of close-packed Fe and FeH

S. Louie, C. Chan, B. Meyer, 1998 .

Adsorption Behavior of a Cyano-Functionalized Porphyrin on Cu(111) and Ag(111): From Molecular Wires to Ordered Supramolecular Two-Dimensional Aggregates

H. Steinrück, N. Jux, B. Meyer, 2017 .

Lawrence Berkeley National Laboratory Recent Work Title Adsorption Behavior of a Cyano-Functionalized Porphyrin on Cu ( 111 ) and Ag ( 111 ) : From Molecular Wires to Ordered Supramolecular Two-Dimensional Aggregates Permalink

Martin A. Schneider, H. Steinrück, N. Jux, 2017 .

Phosphonate- and carboxylate-based self-assembled monolayers for organic devices: a theoretical study of surface binding on aluminum oxide with experimental support.

M. Halik, B. Meyer, T. Clark, 2013, ACS applied materials & interfaces.

Composite Nanostructures of TiO2 and ZnO for Water Splitting Application: Atomic Layer Deposition Growth and Density Functional Theory Investigation

B. Meyer, J. Ristein, J. Bachmann, 2016 .

Direct assessment of the acidity of individual surface hydroxyls

B. Meyer, U. Diebold, M. Schmid, 2021, Nature.

Interface chemistry and molecular bonding of functional ethoxysilane-based self-assembled monolayers on magnesium surfaces.

B. Meyer, P. Schmuki, R. Hahn, 2015, ACS applied materials & interfaces.

Ab initio study of BaTiO 3 and PbTiO 3 surfaces in external electric fields

D. Vanderbilt, B. Meyer, 2000, cond-mat/0009288.

Charge localization dynamics induced by oxygen vacancies on the TiO₂(110) surface.

Dominik Marx, Bernd Meyer, D. Marx, 2010, Physical review letters.

Comment on "Point Defect Behaviour in High Temperature Region in the B 2-Type Intermetallic Compound FeAl" by Kogachi, M., Haraguchi, T. and S.M. Kim

G. Bester, B. Meyer, M. Fähnle, 1999 .

Effect of friction on oxidative graphite intercalation and high-quality graphene formation

Felix Börrnert, Ute Kaiser, Bernd Meyer, 2018, Nature Communications.

Density-functional study of Fe3Al: LSDA versus GGA

B. Meyer, C. Elsässer, F. Lechermann, 2002 .

Reconstruction of the true wavefunctions from the pseudowavefunctions in a crystal and calculation of electric field gradients

B. Meyer, C. Elsasser, M. Fähnle, 1995 .

Stabilization of polar ZnO surfaces: validating microscopic models by using CO as a probe molecule.

D. Marx, B. Meyer, C. Wöll, 2003, Physical review letters.

Development of orthogonal tight-binding models for Ti-C and Ti-N systems

E. R. Margine, D. Pettifor, R. Drautz, 2011 .

Water adsorption on ZnO(1010): from single molecules to partially dissociated monolayers.

D. Marx, B. Meyer, H. Rabaâ, 2006, Physical chemistry chemical physics : PCCP.

Adsorption and self-assembly of a mono-cyano Zn-tetraphenylporphyrin derivative on KBr(001) and MgO(001)

N. Jux, B. Meyer, S. Maier, 2022, Surface Science.

Erratum: Atomic defects in the ordered compound B2-NiAl: A combination of ab initio electron theory and statistical mechanics [Phys. Rev. B 59, 6072 (1999)]

B. Meyer, M. Fähnle, 1999 .

Symmetrical tilt grain boundaries in body-centred cubic transition metals: An ab initio local-density-functional study

B. Meyer, C. Elsässer, T. Ochs, 2000 .

CO2 Adlayers on the Mixed Terminated ZnO(10-10) Surface Studied by He Atom Scattering, Photoelectron Spectroscopy and Ab Initio Electronic Structure Calculations

B. Meyer, K. Kotsis, C. Wöll, 2008 .

Formation of weakly bound, ordered adlayers of CO on rutile TiO2(110): a combined experimental and theoretical study.

D. Marx, A. Veen, B. Meyer, 2009, The Journal of chemical physics.

Adsorbate-induced lifting of substrate relaxation is a general mechanism governing titania surface chemistry

B. Meyer, P. Kowalski, F. Bebensee, 2016, Nature Communications.

Methanol synthesis on ZnO(0001). III. Free energy landscapes, reaction pathways, and mechanistic insights.

D. Marx, B. Meyer, J. Kiss, 2011, The Journal of chemical physics.

Active sites on oxide surfaces: ZnO-catalyzed synthesis of methanol from CO and H2.

B. Meyer, M. Muhler, C. Wöll, 2005, Angewandte Chemie.

Schottky barriers at transition-metal/ SrTiO 3 ( 001 ) interfaces

B. Meyer, M. Mrovec, C. Elsasser, 2009 .

Combined theoretical and experimental study on the adsorption of methanol on the ZnO(1010) surface.

B. Meyer, C. Wöll, J. Kiss, 2011, Journal of Physical Chemistry A.

Ionization energies of shallow donor states in ZnO created by reversible formation and depletion of H interstitials.

B. Meyer, C. Wöll, Yuemin Wang, 2008, Physical review letters.

Resolving the Structure of a Well-Ordered Hydroxyl Overlayer on In2O3(111): Nanomanipulation and Theory

S. Gerhold, B. Meyer, U. Diebold, 2017, ACS nano.

Methanol synthesis on ZnO from molecular dynamics

D. Marx, B. Meyer, J. Kiss, 2013 .

Ab initio calculations of ferroelectric instability in PbTiO 3 capacitors with symmetric and asymmetric electrode layers

B. Meyer, C. Elsasser, Y. Umeno, 2009 .

Reducing the In2O3(111) Surface Results in Ordered Indium Adatoms

B. Meyer, U. Diebold, L. Boatner, 2014 .

Porphyrin Metalation at MgO Surfaces: A Spectroscopic and Quantum Mechanical Study on Complementary Model Systems.

M. Franke, H. Steinrück, B. Meyer, 2016, Chemistry.

The interaction of H2S with the ZnO(1010) surface.

B. Meyer, J. Goclon, 2013, Physical chemistry chemical physics : PCCP.

Structural Evolution of Water on ZnO(101‾ 0): From Isolated Monomers via Anisotropic H‐Bonded 2D and 3D Structures to Isotropic Multilayers

B. Meyer, Xiaojuan Yu, A. Nefedov, 2019, Angewandte Chemie.

Partial dissociation of water leads to stable superstructures on the surface of zinc oxide.

D. Marx, O. Dulub, B. Meyer, 2004, Angewandte Chemie.

Publisher's Note: Density-functional study of the structure and stability of ZnO surfaces [Phys. Rev. B 67, 035403 (2003)]

D. Marx, B. Meyer, 2003 .

Ecov - a new tool for the analysis of electronic structure data in a chemical language

Bernd Meyer, B. Meyer, M. Fähnle, 1999 .

Methanol synthesis on ZnO(0001). I. Hydrogen coverage, charge state of oxygen vacancies, and chemical reactivity.

D. Marx, B. Meyer, J. Kiss, 2009, The Journal of chemical physics.

Phase Transition Behavior and Oriented Aggregation During Precipitation of In(OH)3 and InOOH Nanocrystals

W. Peukert, B. Meyer, E. Spiecker, 2012 .

Parameterization of tight-binding models from density functional theory calculations

B. Meyer, A. Urban, M. Mrovec, 2011 .

F centers versus dimer vacancies on ZnO surfaces: characterization by STM and STS calculations.

D. Marx, B. Meyer, R. Kováčik, 2007, Angewandte Chemie.

Characterization of Catalyst Surfaces by STM Image Calculations

D. Marx, B. Meyer, R. Kováčik, 2007 .

A Density Functional Study of Interactions at the Metal–Ceramic Interfaces Al/MgAl2O4 and Ag/MgAl2O4

M. Finnis, B. Meyer, C. Elsässer, 1998 .

Ab Initio Study of Electronic and Geometric Structures of Metal/Ceramic Heterophase Boundaries

M. Finnis, B. Meyer, C. Elsässer, 1997 .

Methanol synthesis on ZnO(0001). II. Structure, energetics, and vibrational signature of reaction intermediates.

D. Marx, B. Meyer, J. Kiss, 2013, The Journal of chemical physics.

Structure, stability, and electronic properties of SrTiO3/LaAlO3 and SrTiO3/SrRuO3 interfaces

B. Meyer, C. Elsässer, M. Mrovec, 2007 .

Ab initio study of the critical thickness for ferroelectricity in ultrathin Pt/PbTiO3/Pt films

B. Meyer, P. Gumbsch, C. Elsasser, 2006 .

EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions

B. Meyer, T. Clark, Matthias Hennemann, 2015, Journal of Molecular Modeling.

Binary supramolecular networks of bridged triphenylamines with different substituents and identical scaffolds.

B. Meyer, U. Meinhardt, Milan Kivala, 2018, Chemical communications.

Chemisorption and Physisorption at the Metal/Organic Interface: Bond Energies of Naphthalene and Azulene on Coinage Metal Surfaces

J. Morbec, B. Meyer, P. Kratzer, 2020 .

Resolution of Intramolecular Dipoles and a Push-Back Effect of Individual Molecules on a Metal Surface

B. Meyer, S. Eigler, K. Franke, 2022, The Journal of Physical Chemistry C.

Adsorption energies of porphyrins on MgO(100): An experimental benchmark for dispersion-corrected density-functional theory

M. Franke, H. Steinrück, B. Meyer, 2021, Surface Science.

Highly Strained, Radially π-Conjugated Porphyrinylene Nanohoops.

B. Meyer, I. Imaz, D. Maspoch, 2019, Journal of the American Chemical Society.

Molecule–Metal Bond of Alternant versus Nonalternant Aromatic Systems on Coinage Metal Surfaces: Naphthalene versus Azulene on Ag(111) and Cu(111)

C. Kumpf, J. Morbec, R. Maurer, 2019, The Journal of Physical Chemistry C.

Adsorption of sulfur mustard on clean and water-saturated ZnO(101¯0): Structural diversity from first-principles calculations.

B. Meyer, P. Rodziewicz, S. Popiel, 2020, Journal of hazardous materials.

Interplay between molecule-molecule and molecule-substrate interactions: first-principles study of fluoroform aggregates on a hexagonal ice (0001) surface.

B. Meyer, P. Rodziewicz, 2014, Physical chemistry chemical physics : PCCP.

First-principles study of fluoroform adsorption on a hexagonal ice (0001) surface: weak hydrogen bonds-strong structural effects.

B. Meyer, P. Rodziewicz, K. S. Rutkowski, 2011, Physical chemistry chemical physics : PCCP.

Formation and Stability of Phenylphosphonic Acid Monolayers on ZnO: Comparison of In Situ and Ex Situ SAM Preparation.

B. Meyer, G. Witte, A. Ostapenko, 2016, Langmuir : the ACS journal of surfaces and colloids.

Effect of friction on oxidative graphite intercalation and high-quality graphene formation

B. Meyer, F. Börrnert, U. Kaiser, 2018, Nature Communications.

Tuning the reactivity of a Cu/ZnO nanocatalyst via gas phase pressure.

D. Marx, B. Meyer, Johannes Frenzel, 2013, Physical review letters.

Substrate-Modulated Reductive Graphene Functionalization.

B. Meyer, A. Hirsch, F. Hauke, 2016, Angewandte Chemie.

"Inverted" porphyrins: a distorted adsorption geometry of free-base porphyrins on Cu(111).

W. Hieringer, H. Steinrück, B. Meyer, 2017, Chemical communications.

Ab initio analysis of electron energy loss spectra for complex oxides

B. Meyer, C. Elsässer, S. Köstlmeier, 1999 .

Single-walled carbon nanotubes in tetrahydrofuran solution: microsolvation from first-principles calculations

B. Meyer, P. Rodziewicz, M. Kozlowska, 2019, Journal of Molecular Modeling.

Bicanonical ab Initio Molecular Dynamics for Open Systems.

D. Marx, B. Meyer, Johannes Frenzel, 2017, Journal of chemical theory and computation.

A first-principles based force-field for Li+ and OH- in ethanolic solution.

B. Meyer, D. Zahn, T. Milek, 2013, The Journal of chemical physics.

The Pseudopotential Plane Wave Approach

Bernd Meyer, B. Meyer, 2006 .

Controlling the Self-Metalation Rate of Tetraphenylporphyrins on Cu(111) via Cyano Functionalization.

H. Steinrück, N. Jux, B. Meyer, 2018, Angewandte Chemie.

Reversible relaxation at charged metal surfaces: An ab initio study

B. Meyer, P. Gumbsch, C. Elsässer, 2008 .

The interaction of H2S with the ZnO(1010) surface.

B. Meyer, J. Goclon, 2013, Physical chemistry chemical physics : PCCP.

Integrating State of the Art Compute, Communication, and Autotuning Strategies to Multiply the Performance of the Application Programm CPMD for Ab Initio Molecular Dynamics Simulations pdf

Bernd Meyer, Tobias Klöffel, Gerald Mathias, 2020, ArXiv.