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。Creating self-assembled arrays of mono-oxo (MoO3)1 species on TiO2(101) via deposition and decomposition of (MoO3)n oligomers
Nassar Doudin et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2021)
The role of H2 on the stability of the single-metal-site Ir1/AC catalyst for heterogeneous methanol carbonylation
Siquan Peng et al.
JOURNAL OF CATALYSIS (2020)
Probing structural changes upon carbon monoxide coordination to single metal adatoms
P. T. P. Ryan et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Morphology and reactivity of size-selected titanium oxide nanoclusters on Au(111)
Kenneth R. Goodman et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Thermodynamics of Metal Carbonates and Bicarbonates and Their Hydrates for Mg, Ca, Fe, and Cd Relevant to Mineral Energetics
Yiqin Hu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2020)
Enhancing TiO2 activity for CO2 photoreduction through MgO decoration
Juliana A. Torres et al.
JOURNAL OF CO2 UTILIZATION (2020)
The Molpro quantum chemistry package
Hans-Joachim Werner et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Substitution of Titanium for Magnesium Ions at the Surface of Mg-Doped Rutile
Celine Dupont et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Single-Atom Alloy Catalysis
Ryan T. Hannagan et al.
CHEMICAL REVIEWS (2020)
Preparation and Characterization of V2O5/a-TiO2 (101) Model Catalysts
Stig Koust et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Surface Modification of Rutile TiO2 with Alkaline-Earth Oxide Nanoclusters for Enhanced Oxygen Evolution
S. Rhatigan et al.
ACS APPLIED NANO MATERIALS (2020)
Adsorbate-induced structural evolution changes the mechanism of CO oxidation on a Rh/Fe3O4(001) model catalyst
Zdenek Jakub et al.
NANOSCALE (2020)
Subnanometer cobalt oxide clusters as selective low temperature oxidative dehydrogenation catalysts
Sungsik Lee et al.
NATURE COMMUNICATIONS (2019)
Understanding the Binding of Aromatic Hydrocarbons on Rutile TiO2(110)
Long Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2019)
Understanding Heterolytic H2 Cleavage and Water-Assisted Hydrogen Spillover on Fe3O4(001)-Supported Single Palladium Atoms
Nassar Doudin et al.
ACS CATALYSIS (2019)
Low-Temperature Oxidation of Methanol to Formaldehyde on a Model Single-Atom Catalyst: Pd Atoms on Fe3O4(001)
Matthew D. Marcinkowski et al.
ACS CATALYSIS (2019)
Growth and Stability of Titanium Dioxide Nanoclusters on Graphene/Ru(0001)
Ryan T. Frederick et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
TiO2-MgO mixed oxide nanomaterials for solar energy conversion
Balaranjan Selvaratnam et al.
CATALYSIS TODAY (2018)
Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
Lichen Liu et al.
CHEMICAL REVIEWS (2018)
Controlling the charge state of supported nanoparticles in catalysis: lessons from model systems
Gianfranco Pacchioni et al.
CHEMICAL SOCIETY REVIEWS (2018)
Impact of surface hydroxylation in MgO-/SnO-nanocluster modified TiO2 anatase (101) composites on visible light absorption, charge separation and reducibility
Stephen Rhatigan et al.
CHINESE CHEMICAL LETTERS (2018)
Perspective: Size selected clusters for catalysis and electrochemistry
Avik Halder et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Magnesium oxide as an efficient catalyst for CO2 fixation and N-formylation reactions under ambient conditions
Arpita Hazra Chowdhury et al.
MOLECULAR CATALYSIS (2018)
Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K-Fr) and alkaline earth (Ca-Ra) elements
J. Grant Hill et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Electronic Interactions of Size-Selected Oxide Clusters on Metallic and Thin Film Oxide Supports
Meng Xue et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Formation of Metastable Water Chains on Anatase TiO2(101)
Arjun Dahal et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Modified TiO2 photocatalyst for CO2 photocatalytic reduction: An overview
Hamidah Abdullah et al.
JOURNAL OF CO2 UTILIZATION (2017)
Benchmark Calculations of Energetic Properties of Groups 4 and 6 Transition Metal Oxide Nanoclusters Including Comparison to Density Functional Theory
Zongtang Fang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Dual role of CO in the stability of subnano Pt clusters at the Fe3O4(001) surface
Roland Bliem et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2016)
An Atomic-Scale View of CO and H2 Oxidation on a Pt/Fe3O4 Model Catalyst
Roland Bliem et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Catalysis Applications of Size-Selected Cluster Deposition
Stefan Vajda et al.
ACS CATALYSIS (2015)
CRITIC2: A program for real-space analysis of quantum chemical interactions in solids
A. Otero-de-la-Roza et al.
COMPUTER PHYSICS COMMUNICATIONS (2014)
Structures and Stabilities of (MgO)n Nanoclusters
Mingyang Chen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Oxidation, Reduction, and Condensation of Alcohols over (MO3)3 (M = Mo, W) Nanoclusters
Zongtang Fang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Ethanol Conversion on Cyclic (MO3)3 (M = Mo, W) Clusters
Zhenjun Li et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Surface Dipoles and Electron Transfer at the Metal Oxide-Metal Interface: A 2PPE Study of Size-Selected Metal Oxide Clusters Supported on Cu(111)
Yixiong Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Catalytic Dehydration of 2-Propanol by Size-Selected (WO3) and (MoO3)n Metal Oxide Clusters
Xin Tang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Dispersion corrected DFT calculations for the adsorption of N2O on MgO
Zita Huesges et al.
SURFACE SCIENCE (2014)
CP2K: atomistic simulations of condensed matter systems
Juerg Hutter et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)
MgO-TiO2 mixed oxide nanoparticles: Comparison of flame synthesis versus aerogel method; characterization, and photocatalytic activities
Khadga M. Shrestha et al.
JOURNAL OF MATERIALS RESEARCH (2013)
First-Principles Prediction of New Photocatalyst Materials with Visible-Light Absorption and Improved Charge Separation: Surface Modification of Rutile TiO2 with Nanoclusters of MgO and Ga2O3
Michael Nolan
ACS APPLIED MATERIALS & INTERFACES (2012)
Radical versus Nucleophilic Mechanism of Formaldehyde Polymerization Catalyzed by (WO3)3 Clusters on Reduced or Stoichiometric TiO2(110)
Cristiana Di Valentin et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg
Brian P. Prascher et al.
THEORETICAL CHEMISTRY ACCOUNTS (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)
Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds: Fluorides, Chlorides, Oxides, and Hydroxides for Be, Mg, and Ca
Monica Vasiliu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Formaldehyde Polymerization on (WO3)3/TiO2(110) Model Catalyst
Jooho Kim et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Accurate Thermochemistry for Transition Metal Oxide Clusters
Shenggang Li et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Competitive Oxidation and Reduction of Aliphatic Alcohols over (WO3)3 Clusters
Yu Kwon Kim et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Adsorption of Late Transition Metal Atoms on MgO/Mo(100) and MgO/Ag(100) Ultrathin Films: A Comparative DFT Study
Sabrina Sicolo et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Catalytic dehydration of 2-propanol on (WO3)3 clusters on TiO2(110)
Yu Kwon Kim et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
Joost VandeVondele et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Infrared characterization of hydroxyl groups on MgO: A periodic and cluster density functional theory study
Celine Chizallet et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Basis set exchange: A community database for computational sciences
Karen L. Schuchardt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Coupled-cluster theory in quantum chemistry
Rodney J. Bartlett et al.
REVIEWS OF MODERN PHYSICS (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Formation of monodisperse (WO3)(3) clusters on TiO2(110)
Oleksandr Bondarchuk et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Fundamental aspects of catalysis on supported metal clusters
U Heiz et al.
JOURNAL OF MATERIALS CHEMISTRY (2004)
Nanostructured oxides in chemistry:: Characterization and properties
M Fernández-García et al.
CHEMICAL REVIEWS (2004)
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
VN Staroverov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
An object-oriented scripting interface to a legacy electronic structure code
SR Bahn et al.
COMPUTING IN SCIENCE & ENGINEERING (2002)
Chemistry of NO2 on CeO2 and MgO:: Experimental and theoretical studies on the formation of NO3
JA Rodriguez et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Coupled cluster theory for high spin, open shell reference wave functions (vol 99, pg 5219, 1993)
PJ Knowles et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
分享论文
