A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics

Modeling Mechanism and Growth Reactions for New Nanofabrication Processes by Atomic Layer Deposition

(2015) Simon D. Elliott et al.   ADVANCED MATERIALS

Plasma Catalysis: Synergistic Effects at the Nanoscale

(2015) Erik C. Neyts et al.   CHEMICAL REVIEWS

Plasma-based conversion of CO2: current status and future challenges

(2015) Annemie Bogaerts et al.   FARADAY DISCUSSIONS

Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds

(2015) Kristof M. Bal et al.   Journal of Chemical Theory and Computation

Plasma-based conversion of CO2: current status and future challenges

(2015) Annemie Bogaerts et al.   FARADAY DISCUSSIONS

A review of dry (CO2) reforming of methane over noble metal catalysts

(2014) Devendra Pakhare et al.   CHEMICAL SOCIETY REVIEWS

A study on the hydrogen activation properties of Ni-based intermetallics: a relationship between reactivity and the electronic state

(2014) Shinya Furukawa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Carbon-Induced Surface Transformations of Cobalt

(2014) Xue-Qing Zhang et al.   ACS Catalysis

The Kinetic Monte Carlo Method as a Way To Solve the Master Equation for Interstellar Grain Chemistry

(2013) H. M. Cuppen et al.   CHEMICAL REVIEWS

Atomistic kinetic Monte Carlo study of atomic layer deposition derived from density functional theory

(2013) Mahdi Shirazi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Plasma-catalytic dry reforming of methane in an atmospheric dielectric barrier discharge: Understanding the synergistic effect at low temperature

(2012) X. Tu et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Mechanism of the Initial Stage of Silicate Oligomerization

(2011) Xue-Qing Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Graphene on Ni(111): Strong interaction and weak adsorption

(2011) F. Mittendorfer et al.   PHYSICAL REVIEW B

Van der Waals density functionals applied to solids

(2011) Jiří Klimeš et al.   PHYSICAL REVIEW B

Simulation of surface processes

(2011) H. Jonsson   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Catalyzed Growth of Carbon Nanotube with Definable Chirality by Hybrid Molecular Dynamics−Force Biased Monte Carlo Simulations

(2010) Erik C. Neyts et al.   ACS Nano

Competing, Coverage-Dependent Decomposition Pathways for C2Hy Species on Nickel (111)

(2010) Jonathan E. Mueller et al.   Journal of Physical Chemistry C

Frozen thermal fluctuations in adsorbate-induced step restructuring

(2010) X.-Q. Zhang et al.   PHYSICAL REVIEW B

Higher-accuracy van der Waals density functional

(2010) Kyuho Lee et al.   PHYSICAL REVIEW B

Accurate Bulk Properties from Approximate Many-Body Techniques

(2009) Judith Harl et al.   PHYSICAL REVIEW LETTERS

Materials for hydrogenstorage: current research trends and perspectives

(2008) Annemieke W. C. van den Berg et al.   CHEMICAL COMMUNICATIONS