相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Understanding Heterolytic H2 Cleavage and Water-Assisted Hydrogen Spillover on Fe3O4(001)-Supported Single Palladium Atoms
Nassar Doudin et al.
ACS CATALYSIS (2019)
Abnormal subsurface hydrogen diffusion behaviors in heterogeneous hydrogenation reactions
Feina Zhai et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Hydrogenation of CO to Methanol on Ni(110) through Subsurface Hydrogen
Adam P. Ashwell et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Tuning Selectivity of CO2 Hydrogenation Reactions at the Metal/Oxide Interface
Shyam Kattel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Hydrogen diffusion into the subsurfaces of model metal catalysts from first principles
Xiangjian Shen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Mechanism of Cobalt-Catalyzed CO Hydrogenation: 2. Fischer-Tropsch Synthesis
Wei Chen et al.
ACS CATALYSIS (2017)
Reducing CO2 to CO and H2O on Ni(110): The Influence of Subsurface Hydrogen
Wei Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Optimizing Binding Energies of Key Intermediates for CO2 Hydrogenation to Methanol over Oxide-Supported Copper
Shyam Kattel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Control and Impact of the Nanoscale Distribution of Supported Cobalt Particles Used in Fischer-Tropsch Catalysis
Peter Munnik et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
DFT study of the adsorption and dissociation of water on Ni(111), Ni(110) and Ni(100) surfaces
Abas Mohsenzadeh et al.
SURFACE SCIENCE (2014)
CP2K: atomistic simulations of condensed matter systems
Juerg Hutter et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
Crystallographic Dependence of CO Activation on Cobalt Catalysts: HCP versus FCC
Jin-Xun Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Methane dissociation on Ni (100), Ni (111), and Ni (553): A comparative density functional theory study
Jingde Li et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2012)
CO2 Hydrogenation to Formic Acid on Ni(111)
Guowen Peng et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
CO2 hydrogenation to formic acid on Ni(110)
Guowen Peng et al.
SURFACE SCIENCE (2012)
Recent advances in catalytic hydrogenation of carbon dioxide
Wei Wang et al.
CHEMICAL SOCIETY REVIEWS (2011)
Homogeneous syngas conversion
Nathan M. West et al.
COORDINATION CHEMISTRY REVIEWS (2011)
Accurate and efficient algorithm for Bader charge integration
Min Yu et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Catalytic CO2 Hydrogenation on Nickel: Novel Insight by Chemical Transient Kinetics
E. Vesselli et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Spontaneous Activation of CO2 and Possible Corrosion Pathways on the Low-Index Iron Surface Fe(100)
Vassiliki-Alexandra Glezakou et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
A grid-based Bader analysis algorithm without lattice bias
W. Tang et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Relating the coverage dependence of oxygen adsorption on Au and Pt fcc(111) surfaces through adsorbate-induced surface electronic structure effects
Spencer D. Miller et al.
SURFACE SCIENCE (2009)
Covalent radii revisited
Beatriz Cordero et al.
DALTON TRANSACTIONS (2008)
Fischer-tropsch mechanism revisited: Alternative pathways for the production of higher hydrocarbons from synthesis gas
Oliver R. Inderwildi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Carbon dioxide hydrogenation on Ni(110)
Erik Vesselli et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Unparticle physics in DIS
Gui-Jun Ding et al.
PHYSICAL REVIEW D (2007)
Selective methanation of carbon oxides in a microchannel reactor -: Primary screening and impact of gas additives
Yong Men et al.
CATALYSIS TODAY (2007)
Improved grid-based algorithm for Bader charge allocation
Edward Sanville et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
A fast and robust algorithm for Bader decomposition of charge density
Graeme Henkelman et al.
COMPUTATIONAL MATERIALS SCIENCE (2006)
Chemisorption of CO2 on nickel surfaces
SG Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Pseudopotentials for H to Kr optimized for gradient-corrected exchange-correlation functionals
M Krack
THEORETICAL CHEMISTRY ACCOUNTS (2005)
Chemisorption and diffusion of hydrogen on surface and subsurface sites of flat and stepped nickel surfaces
B Bhatia et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
QUICKSTEP: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
J VandeVondele et al.
COMPUTER PHYSICS COMMUNICATIONS (2005)
Structural and kinetic effects on a simple catalytic reaction: Oxygen reduction on Ni(110)
E Vesselli et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces
JR Kitchin et al.
PHYSICAL REVIEW LETTERS (2004)
High quality diesel via the Fischer-Tropsch process - a review
ME Dry
JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY (2002)
The unique chemistry of hydrogen beneath the surface: Catalytic hydrogenation of hydrocarbons
ST Ceyer
ACCOUNTS OF CHEMICAL RESEARCH (2001)
Heterogeneous catalysis through subsurface sites
V Ledentu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
分享论文
