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Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis

The journal of physical chemistry letters, 2019-02, Vol.10 (3), p.460-467

2019

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Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3

The journal of physical chemistry letters, 2018-04, Vol.9 (7), p.1696-1702

2018

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Building Structures Atom by Atom via Electron Beam Manipulation

Small (Weinheim an der Bergstrasse, Germany), 2018-09, Vol.14 (38), p.e1801771-n/a

2018

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Mechanism of CO2 Photocatalytic Reduction to Methane and Methanol on Defected Anatase TiO2 (101): A Density Functional Theory Study

Journal of physical chemistry. C, 2019-02, Vol.123 (6), p.3505-3511

2019

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Germanium as key dopant to boost the catalytic performance of small platinum clusters for alkane dehydrogenation

Journal of catalysis, 2019-06, Vol.374 (C), p.93-100

2019

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Can Fluxionality of Subnanometer Cluster Catalysts Solely Cause Non-Arrhenius Behavior in Catalysis?

Journal of physical chemistry. C, 2020-09, Vol.124 (36), p.19556-19562

2020

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Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt Clusters on Al2O3

Journal of the American Chemical Society, 2017-08, Vol.139 (33), p.11568-11575

2017

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Origin of Extraordinary Stability of Square-Planar Carbon Atoms in Surface Carbides of Cobalt and Nickel

Angewandte Chemie (International ed.), 2015-04, Vol.54 (18), p.5312-5316

International ed. in English, 2015

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H·(H2O) n Clusters: Microsolvation of the Hydrogen Atom via Molecular ab Initio Gradient Embedded Genetic Algorithm (GEGA)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-12, Vol.114 (48), p.12591-12599

Alexandrova, Anastassia N

2010

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Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces

Accounts of chemical research, 2020-02, Vol.53 (2), p.447-458

2020

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Artificial Photosynthesis on TiO2‑Passivated InP Nanopillars

Nano letters, 2015-09, Vol.15 (9), p.6177-6181

2015

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(Photo)Electrocatalytic CO2 Reduction at the Defective Anatase TiO2 (101) Surface

ACS catalysis, 2020-04, Vol.10 (7), p.4048-4058

2020

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Ambient methane functionalization initiated by electrochemical oxidation of a vanadium (V)-oxo dimer

Nature communications, 2020-07, Vol.11 (1), p.3686-3686, Article 3686

2020

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AFFCK: Adaptive Force-Field-Assisted ab Initio Coalescence Kick Method for Global Minimum Search

Journal of chemical theory and computation, 2015-05, Vol.11 (5), p.2385-2393

2015

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Fluxionality of Catalytic Clusters: When It Matters and How to Address It

ACS catalysis, 2017-03, Vol.7 (3), p.1905-1911

2017

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How metal substitution affects the enzymatic activity of catechol-o-methyltransferase

PloS one, 2012-10, Vol.7 (10), p.e47172-e47172

2012

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Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization

Journal of chemical theory and computation, 2016-12, Vol.12 (12), p.6213-6226

2016

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Hepta- and Octacoordinate Boron in Molecular Wheels of Eight- and Nine-Atom Boron Clusters: Observation and Confirmation

Angewandte Chemie (International ed.), 2003-12, Vol.42 (48), p.6004-6008

2003

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Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO

Journal of physical chemistry. C, 2018-06, Vol.122 (22), p.11933-11937

2018

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Molecular Basis for Nanoscopic Membrane Curvature Generation from Quantum Mechanical Models and Synthetic Transporter Sequences

Journal of the American Chemical Society, 2012-11, Vol.134 (46), p.19207-19216

2012

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Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization

The Journal of chemical physics, 2019-11, Vol.151 (19), p.194703-194703

2019

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Metal-Dependent Activity of Fe and Ni Acireductone Dioxygenases: How Two Electrons Reroute the Catalytic Pathway

Journal of molecular biology, 2013-08, Vol.425 (16), p.3007-3018

2013

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Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation

ACS catalysis, 2020-05, Vol.10 (9), p.5309-5317

2020

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Off-Stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane

Journal of the American Chemical Society, 2023-08, Vol.145 (31), p.17265-17273

2023

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Nature of Zirconia on a Copper Inverse Catalyst Under CO2 Hydrogenation Conditions

Journal of the American Chemical Society, 2023-12, Vol.145 (48), p.26350-26362

2023

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Dynamics of Subnanometer Pt Clusters Can Break the Scaling Relationships in Catalysis

Local Fluxionality of Surface-Deposited Cluster Catalysts: The Case of Pt7 on Al2O3

Building Structures Atom by Atom via Electron Beam Manipulation

Mechanism of CO2 Photocatalytic Reduction to Methane and Methanol on Defected Anatase TiO2 (101): A Density Functional Theory Study

Germanium as key dopant to boost the catalytic performance of small platinum clusters for alkane dehydrogenation

Can Fluxionality of Subnanometer Cluster Catalysts Solely Cause Non-Arrhenius Behavior in Catalysis?

Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt Clusters on Al2O3

Origin of Extraordinary Stability of Square-Planar Carbon Atoms in Surface Carbides of Cobalt and Nickel

H·(H2O) n Clusters: Microsolvation of the Hydrogen Atom via Molecular ab Initio Gradient Embedded Genetic Algorithm (GEGA)

Ensembles of Metastable States Govern Heterogeneous Catalysis on Dynamic Interfaces

Artificial Photosynthesis on TiO2‑Passivated InP Nanopillars

(Photo)Electrocatalytic CO2 Reduction at the Defective Anatase TiO2 (101) Surface

Ambient methane functionalization initiated by electrochemical oxidation of a vanadium (V)-oxo dimer

AFFCK: Adaptive Force-Field-Assisted ab Initio Coalescence Kick Method for Global Minimum Search

Fluxionality of Catalytic Clusters: When It Matters and How to Address It

How metal substitution affects the enzymatic activity of catechol-o-methyltransferase

Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization

Hepta- and Octacoordinate Boron in Molecular Wheels of Eight- and Nine-Atom Boron Clusters: Observation and Confirmation

Multicenter Bonding Effects in Oxygen Vacancy in the Bulk and on the Surface of MgO

Molecular Basis for Nanoscopic Membrane Curvature Generation from Quantum Mechanical Models and Synthetic Transporter Sequences

Pt8 cluster on alumina under a pressure of hydrogen: Support-dependent reconstruction from first-principles global optimization

Metal-Dependent Activity of Fe and Ni Acireductone Dioxygenases: How Two Electrons Reroute the Catalytic Pathway

Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation

Off-Stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane

Nature of Zirconia on a Copper Inverse Catalyst Under CO2 Hydrogenation Conditions

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