Dr. Wai-Leung Yim

Profil

Derzeitige StellungProfessor W-1 und Äquivalente
FachgebietThermodynamik und Kinetik sowie Eigenschaften der Phasen und Gefüge von Werkstoffen,Theoretische Chemie: Elektronenstruktur, Dynamik, Simulation
Keywordsfirst principles calculation, phase diagram, phonon, surface science

Aktuelle Kontaktadresse

LandSingapur
OrtSingapore
Universität/InstitutionInstitute of High Performance Computing (IHPC)
Institut/AbteilungMaterials Science and Engineering Department
Websitehttps://sites.google.com/site/yimsresearch/

Gastgeber*innen während der Förderung

Prof. Dr. Thorsten KlünerInstitut für Reine und Angewandte Chemie (IRAC), Carl von Ossietzky Universität Oldenburg, Oldenburg
Beginn der ersten Förderung01.11.2005

Programm(e)

2005Humboldt-Forschungsstipendien-Programm

Publikationen (Auswahl)

2011Wai-Leung Yim, Thorsten Klüner: Lattice Stability of Si[100] Wires From First Principles. In: J. Phys. Chem. C, 2011, 3286-3290
2010Wai-Leung Yim, Thorsten Klüner: Understanding of Adsorption and Catalytic Properties of Bimetallic Pt-Co Alloy Surfaces From First Principles – Insights From Disordered Alloy Surfaces. In: J. Phys. Chem. C, 2010, 7141-7152
2009Hao-yang Wang, Wai-Leung Yim, Thorsten Kluner, Jürgen O. Metzger: ESI-MS Studies and Calculations on Alkali Metal Adduct Ions of Ruthenium Olefin Metathesis Catalysts and Their Catalytic Activity in Metathesis Reactions. In: Chem. Eur. J., 2009, 10948-10959
2008Wai-Leung Yim, Thorsten Klüner: Atoms-In-Molecules Analysis For Planewave DFT Calculations – A Numerical Approach on a Successively Interpolated Charge Density Grid. In: J. Comput. Chem., 2008, 1306-1315
2008Wai-Leung Yim, Thorsten Klüner: Promoting O2 Activation on Noble Metal Surfaces. In: J. Catal., 2008, 349-354
2008Wai-Leung Yim, Thorsten Klüner: Role of Electrostatic Interactions on Engineering Reaction Barriers: The Case of CO Dissociation on Supported Cobalt Particles. In: J. Chem. Theory Comput., 2008, 1709-1717
2007Daniela Fenske, Wai-Leung Yim, Stefanie Neuendorf, Dirk Hoogestraat, Denis Greshnykh, Holger Borchert, Thorsten Klüner, Katharina Al-Shamery: Pitfalls in Interpreting Temperature Programmed Desorption Spectra of Alloys: the CoPt/CO puzzle. In: ChemPhysChem, 2007, 654-656
2007Wai-Leung Yim, Tobias Nowitzki, Mandus Necke, Hanno Schnars, Patricia Nickut, Jürgen Biener, Monika M. Biener, Volkmar Zielasek, Katharina Al-Shamery, Thorsten Klüner, Marcus Bäumer: Universal Phenomena of CO Adsorption on Gold Surfaces with Low-coordinated Sites. In: J. Phys. Chem. C, 2007, 445-451