Related references
Note: Only part of the references are listed.Vanadium Hydride as an Ammonia Synthesis Catalyst
Yu Cao et al.
CHEMCATCHEM (2021)
From Infection Clusters to Metal Clusters: Significance of the Lowest Occupied Molecular Orbital (LOMO)
Yuta Tsuji et al.
ACS OMEGA (2021)
Electronic Origin of Catalytic Activity of TiH2 for Ammonia Synthesis
Yuta Tsuji et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2021)
Modern cluster design based on experiment and theory
Takamasa Tsukamoto et al.
NATURE REVIEWS CHEMISTRY (2021)
Highly Efficient Dehydrogenation of Formic Acid over Binary Palladium-Phosphorous Alloy Nanoclusters on N-Doped Carbon
Luyu Zhu et al.
INORGANIC CHEMISTRY (2021)
Bonding of C1 fragments on metal nanoclusters: a search for methane conversion catalysts with swarm intelligence
Mikiya Hori et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
High methane selective Pt cluster catalyst supported on Ga2O3 for CO2 hydrogenation
Hanseul Choi et al.
CATALYSIS TODAY (2020)
Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces
Zisheng Zhang et al.
ACCOUNTS OF CHEMICAL RESEARCH (2020)
High-Throughput Experimentation and Catalyst Informatics for Oxidative Coupling of Methane
Thanh Nhat Nguyen et al.
ACS CATALYSIS (2020)
Development of CO2-to-Methanol Hydrogenation Catalyst by Focusing on the Coordination Structure of the Cu Species in Spinel-Type Oxide Mg1-xCuxAl2O4
Shohei Tada et al.
ACS CATALYSIS (2020)
A topological isomer of the Au25(SR)18-nanocluster
Maria Francisca Matus et al.
CHEMICAL COMMUNICATIONS (2020)
Carbon Permeation: The Prerequisite Elementary Step in Iron-Catalyzed Fischer-Tropsch Synthesis
Rui Gao et al.
CATALYSIS LETTERS (2019)
Methane Activation at the Metal-Support Interface of Ni4-CeO2(111) Catalyst: A Theoretical Study
Rajib Kumar Singha et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Interface structure prediction via CALYPSO method
Bo Gao et al.
SCIENCE BULLETIN (2019)
The Rise of Catalyst Informatics: Towards Catalyst Genomics
Keisuke Takahashi et al.
CHEMCATCHEM (2019)
Molecular Understanding of the Adhesive Interactions between Silica Surface and Epoxy Resin: Effects of Interfacial Water
Chisa Higuchi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)
Sub nanometer clusters in catalysis
Estefania Fernandez et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2019)
H-2 Dissociation on H Precovered Ni(111) Surfaces: Coverage Dependence, Lattice Motion, and Arrangement Effects
Huali Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
Lichen Liu et al.
CHEMICAL REVIEWS (2018)
Graphene-supported Cu11 nanocluster as a candidate catalyst for the selective hydrogenation of acetylene: A density functional study
Tahereh Abdollahi et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2018)
Adsorption and Activation of Methane on the (110) Surface of Rutile-type Metal Dioxides
Yuta Tsuji et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Crystal structure prediction accelerated by Bayesian optimization
Tomoki Yamashita et al.
PHYSICAL REVIEW MATERIALS (2018)
The study of adsorption of hydrogen onto copper and gold clusters by method of the density functional
A. A. Kirsankin et al.
THIRD INTERNATIONAL YOUTH SCIENTIFIC FORUM WITH INTERNATIONAL PARTICIPATION NEW MATERIALS (2018)
Bimetallic Ag-Pt Sub-nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts
Fabio R. Negreiros et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
Property-Activity Relations for Methane Activation by Dual-Metal Cu-Oxo Trimers in ZSM-5 Zeolite
Chong Liu et al.
SMALL METHODS (2018)
Understanding trends in C-H bond activation in heterogeneous catalysis
Allegra A. Latimer et al.
NATURE MATERIALS (2017)
Titanium-Based Hydrides as Heterogeneous Catalysts for Ammonia Synthesis
Yoji Kobayashi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Catalyst Informatics on Methane Activation on Various Metal Alloys
Takashi Kamachi et al.
JOURNAL OF COMPUTER CHEMISTRY-JAPAN (2017)
Square planar Cu(I) stabilized by a pyridinediimine ligand
Pui Man Cheung et al.
CHEMICAL COMMUNICATIONS (2016)
CALYPSO structure prediction method and its wide application
Hui Wang et al.
COMPUTATIONAL MATERIALS SCIENCE (2016)
Revealing the Multibonding State between Hydrogen and GrapheneSupported Ti Clusters
Keisuke Takahashi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Structural Diversity and Electron Confinement in Li4N: Potential for 0-D, 2-D, and 3-D Electrides
Yuta Tsuji et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
On the hydrogen adsorption and dissociation on Cu surfaces and nanorows
Leny Alvarez-Falcon et al.
SURFACE SCIENCE (2016)
Essential role of hydride ion in ruthenium-based ammonia synthesis catalysts
Masaaki Kitano et al.
CHEMICAL SCIENCE (2016)
Density functional theory study of the structures and electronic properties of copper and sulfur doped copper clusters
Cheng-Gang Li et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2016)
Tuning metal cluster catalytic activity with morphology and composition: a DFT study of O2 dissociation at the global minimum of PtmPdn (m plus n=5) clusters
Peng Lv et al.
RSC ADVANCES (2016)
Probing the structural evolution of ruthenium doped germanium clusters: Photoelectron spectroscopy and density functional theory calculations
Yuanyuan Jin et al.
SCIENTIFIC REPORTS (2016)
Electride support boosts nitrogen dissociation over ruthenium catalyst and shifts the bottleneck in ammonia synthesis
Masaaki Kitano et al.
NATURE COMMUNICATIONS (2015)
Structures and stability of metal-doped GenM (n=9, 10) clusters
Wei Qin et al.
AIP ADVANCES (2015)
Hydrogen Adsorption Structures and Energetics on Iron Surfaces at High Coverage
Tao Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Enhancing the hydrogen storage capacity of TiFe by utilizing clusters
Keisuke Takahashi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Dissociation rates of H2 on a Ni(100) surface: the role of the physisorbed state
Wenji Wang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Chemisorption of hydrogen on Fe clusters through hybrid bonding mechanisms
Keisuke Takahashi et al.
APPLIED PHYSICS LETTERS (2013)
Nobel Prize in chemistry 1912 to Sabatier: Organic chemistry or catalysis?
Michel Che
CATALYSIS TODAY (2013)
Effect of Support Structure and Composition on the Catalytic Activity of Pt Nanoclusters for Methane Dehydrogenation
Zhuo Cheng et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2013)
Review of methanol reforming-Cu-based catalysts, surface reaction mechanisms, and reaction schemes
S. T. Yong et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2013)
Size- and support-dependent Pt nanocluster catalysis for oxidant-free dehydrogenation of alcohols
Kenichi Kon et al.
JOURNAL OF CATALYSIS (2013)
Synthesis gas production to desired hydrogen to carbon monoxide ratios by tri-reforming of methane using Ni-MgO-(Ce,Zr)O2 catalysts
Devin M. Walker et al.
APPLIED CATALYSIS A-GENERAL (2012)
CALYPSO: A method for crystal structure prediction
Yanchao Wang et al.
COMPUTER PHYSICS COMMUNICATIONS (2012)
A new insight into the initial step in the Fischer-Tropsch synthesis: CO dissociation on Ru surfaces
Hongping Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Oxidative Dehydrogenation of Cyclohexane on Cobalt Oxide (Co3O4) Nanoparticles: The Effect of Particle Size on Activity and Selectivity
Eric C. Tyo et al.
ACS CATALYSIS (2012)
Finite Size Effects in Chemical Bonding: From Small Clusters to Solids
J. Kleis et al.
CATALYSIS LETTERS (2011)
Recent advances in catalytic hydrogenation of carbon dioxide
Wei Wang et al.
CHEMICAL SOCIETY REVIEWS (2011)
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
Koichi Momma et al.
JOURNAL OF APPLIED CRYSTALLOGRAPHY (2011)
Hydrogen dissociation on Cu(111): the influence of lattice motion. Part I
Matteo Bonfanti et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Studying Fischer-Tropsch catalysts using transmission electron microscopy and model systems of nanoparticles on planar supports
P. C. Thune et al.
CATALYSIS SCIENCE & TECHNOLOGY (2011)
Hydrogen Adsorption on Mixed Platinum and Nickel Nanoclusters: The Influence of Cluster Composition and Graphene Support
Jiang Wu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Crystal structure prediction via particle-swarm optimization
Yanchao Wang et al.
PHYSICAL REVIEW B (2010)
Diversity driven unbiased search of minimum energy cluster configurations
Jose Rogan et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Reactions at surfaces: From atoms to complexity (Nobel lecture)
Gerhard Ertl
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
The renaissance of iron-based Fischer-Tropsch synthesis: on the multifaceted catalyst deactivation behaviour
Emiel de Smit et al.
CHEMICAL SOCIETY REVIEWS (2008)
Distortion/Interaction energy control of 1,3-dipolar cycloaddition reactivity
Daniel H. Ess et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Global minimum structure searches via particle swarm optimization
Seth T. Call et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Synthetic scope of alcohol transfer dehydrogenation catalyzed by Cu/Al2O3:: A new metallic catalyst with unusual selectivity
Federica Zaccheria et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
On the theoretical description of the chemisorption of the hydrogen atom on the metallic surface. Calculation of energy interaction of H with hcp Co and Ni surface clusters
JRA Collado
SURFACE SCIENCE (2006)
Rhodium nanoparticles stabilized by ionic copolymers in ionic liquids: Long lifetime nanocluster catalysts for benzene hydrogenation
XD Mu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Use of kinetic models to explore the role of base promoters on Ru/MgO ammonia synthesis catalysts
SE Siporin et al.
JOURNAL OF CATALYSIS (2004)
Density functional study on structure and stability of bimetallic AuNZn (N≤6) clusters and their cations
H Tanaka et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Hydrogenation/dehydrogenation reactions: isopropanol dehydrogenation over copper catalysts
RM Rioux et al.
JOURNAL OF CATALYSIS (2003)
σ aromaticity of the bimetallic Au5Zn+ cluster
H Tanaka et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Copper(II) is harder than copper(I): a novel mixed-valence example from alkoxide chemistry
B Gustafsson et al.
NEW JOURNAL OF CHEMISTRY (2003)
A new insight into Fischer-Tropsch synthesis
ZP Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Structure sensitivity of supported ruthenium catalysts for ammonia synthesis
CJH Jacobsen et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2000)
Ab initio simulation of the interaction of hydrogen with the {111} surfaces of platinum, palladium and nickel. A possible explanation for their difference in hydrogenation activity
GW Watson et al.
CHEMICAL COMMUNICATIONS (2000)