Related references
Note: Only part of the references are listed.An overview on metal-related catalysts: metal oxides, nanoporous metals and supported metal nanoparticles on metal organic frameworks and zeolites
Bhupendra Kumar Singh et al.
RARE METALS (2020)
Manipulating Atomic Structures at the Au/TiO2 Interface for O2 Activation
Jiawei Huang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Can Fluxionality of Subnanometer Cluster Catalysts Solely Cause Non-Arrhenius Behavior in Catalysis?
Borna Zandkarimi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Oxide-Supported Gold Clusters and Nanoparticles in Catalysis: A Computational Chemistry Perspective
Sergio Tosoni et al.
CHEMCATCHEM (2019)
Structural, electronic and magnetic properties of stoichiometric cobalt oxide clusters (CoO)nq (n=3-10, q=0,+1): A modified basin-hopping Monte Carlo algorithm with spin-polarized DFT
Mohammad Noh Daud
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2019)
Surface Single-Cluster Catalyst for N-2-to-NH3 Thermal Conversion
Xue-Lu Ma et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Heterogeneous Fe-3 single-cluster catalyst for ammonia synthesis via an associative mechanism
Jin-Cheng Liu et al.
NATURE COMMUNICATIONS (2018)
Heterogeneous single-atom catalysis
Aiqin Wang et al.
NATURE REVIEWS CHEMISTRY (2018)
Atomic-Scale Explanation of O2 Activation at the Au-TiO2 Interface
Niklas Siemer et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Effect of reducible oxide-metal cluster charge transfer on the structure and reactivity of adsorbed Au and Pt atoms and clusters on anatase TiO2
Honghong Wang et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
New AuN (N=27-30) Lowest Energy Clusters Obtained by Means of an Improved DFT-Genetic Algorithm Methodology
Jorge A. Vargas et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Fluxionality of Catalytic Clusters: When It Matters and How to Address It
Huanchen Zhai et al.
ACS CATALYSIS (2017)
A DFT study of molecular adsorption on titania-supported AuRh nanoalloys
Ilker Demiroglu et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2017)
A comparative study of AumRhn (4 ≤ m plus n ≤ 6) clusters in the gas phase versus those deposited on (100) MgO
Fernando Buendia et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Gold and Silver Custers on TiO2 and ZrO2 (101) Surfaces: Role of Dispersion Forces
Antonio Ruiz Puigdollers et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Highly Stable Bimetallic Aulr/TiO2 Catalyst: Physical Origins of the Intrinsic High Stability against Sintering
Chang Wan Han et al.
NANO LETTERS (2015)
Design Principles of Inert Substrates for Exploiting Gold Clusters' Intrinsic Catalytic Reactivity
Wang Gao et al.
SCIENTIFIC REPORTS (2015)
Extending the applicability of the Tkatchenko-Scheffler dispersion correction via iterative Hirshfeld partitioning
Tomas Bucko et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
A genetic algorithm for first principles global structure optimization of supported nano structures
Lasse B. Vilhelmsen et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Single-Atom Catalysts: A New Frontier in Heterogeneous Catalysis
Xiao-Feng Yang et al.
ACCOUNTS OF CHEMICAL RESEARCH (2013)
Colloidal Ru, Co and Fe-nanoparticles. Synthesis and application as nanocatalysts in the Fischer-Tropsch process
Aitor Gual et al.
CATALYSIS TODAY (2012)
Electronic Structure of F-Doped Bulk Rutile, Anatase, and Brookite Polymorphs of TiO2
Sergio Tosoni et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Theoretical Studies of the Stability and Oxidation of Pdn (n=1-7) Clusters on Rutile TiO2(110): Adsorption on the Stoichiometric Surface
S. Vincent Ong et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Review of the anatase to rutile phase transformation
Dorian A. H. Hanaor et al.
JOURNAL OF MATERIALS SCIENCE (2011)
Single-atom catalysis of CO oxidation using Pt1/FeOx
Botao Qiao et al.
NATURE CHEMISTRY (2011)
Rutile-Supported Ir, Au, and Ir Au Catalysts for CO Oxidation
Xim Bokhimi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Au-Ir/TiO2 Prepared by Deposition Precipitation with Urea: Improved Activity and Stability in CO Oxidation
Antonio Gomez-Cortes et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Reduced and n-Type Doped TiO2: Nature of Ti3+ Species
Cristiana Di Valentin 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)
Importance of the relationship between surface phases and photocatalytic activity of TiO2
Jing Zhang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Small au and pt clusters at the anatase TiO2(101) surface:: Behavior at terraces, steps, and surface oxygen vacancies
Xue-Qing Gong et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Enhanced bonding of gold nanoparticles on oxidized TiO2(110)
D. Matthey et al.
SCIENCE (2007)
The interaction of coinage metal clusters with the MgO(100) surface
G Barcaro et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Fundamental aspects of catalysis on supported metal clusters
U Heiz et al.
JOURNAL OF MATERIALS CHEMISTRY (2004)
The impact of nanoscience on heterogeneous catalysis
AT Bell
SCIENCE (2003)
Evolving better nanoparticles: Genetic algorithms for optimising cluster geometries
RL Johnston
DALTON TRANSACTIONS (2003)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)