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Mechanism and microkinetics of the Fischer―Tropsch reaction

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (40), p.17038-17063

2013

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Surface chemistry of TiO2 connecting thermal catalysis and photocatalysis

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (18), p.9875-9909

2020

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When classical trajectories get to quantum accuracy: II. The scattering of rotationally excited H2 on Pd(111)

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (39), p.22805-22814

2020

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Individual effects of atmospheric water vapor and carbon dioxide on the kinetics of the thermal decomposition of granular malachite

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (18), p.1139-1153

2022

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Recent advances in organic molecule reactions on metal surfaces

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (28), p.1952-1968

Gao, Hong-Ying

2024

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Pore size effects on surface charges and interfacial electrostatics of mesoporous silicas

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (3), p.1873-1882

2022

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The physico-geometrical reaction pathway and kinetics of multistep thermal dehydration of calcium chloride dihydrate in a dry nitrogen stream

Physical chemistry chemical physics : PCCP, 2024-04, Vol.26 (16), p.12358-12371

2024

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A theoretical study on the surface reaction of tetrakis(dimethylamino)titanium on titanium oxide

Physical chemistry chemical physics : PCCP, 2023-08, Vol.25 (33), p.22250-22257

2023

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A caveat of the charge-extrapolation scheme for modeling electrochemical reactions on semiconductor surfaces: an issue induced by a discontinuous Fermi level change

Physical chemistry chemical physics : PCCP, 2022-06, Vol.24 (25), p.15511-15521

2022

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Water vapor effect on the physico-geometrical reaction pathway and kinetics of the multistep thermal dehydration of calcium chloride dihydrate

Physical chemistry chemical physics : PCCP, 2024-07, Vol.26 (26), p.18476-18492

2024

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Ab initio molecular dynamics of atomic-scale surface reactions: insights into metal organic chemical vapor deposition of AlN on graphene

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (26), p.17751-17761

2018

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On-surface polymerization reactions of dibrominated hexaphenylbenzene influenced by densely packed self-assembly

Physical chemistry chemical physics : PCCP, 2024-05, Vol.26 (17), p.12939-12946

2024

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Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (19), p.11155-11179

2021

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Surface chemistry at the solid–solid interface: mechanically induced reaction pathways of C8 carboxylic acid monolayers on copper

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (33), p.17803-17812

2021

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Probing interfacial charge transfer in heterojunctions for photocatalysis

Physical chemistry chemical physics : PCCP, 2022-08, Vol.24 (33), p.19659-19672

2022

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Formation of HCN+ in collisions of N+ and N2+ with a self-assembled propanethiol surface on gold

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (13), p.7777-7782

2021

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The effect of collisions on the chemomechanics of ice-covered silica slabs: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (46), p.3228-32215

2023

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Physico-geometrical kinetic insight into multistep thermal dehydration of calcium hydrogen phosphate dihydrate

Physical chemistry chemical physics : PCCP, 2023-05, Vol.25 (17), p.1281-1296

2023

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Towards rational catalyst design: boosting the rapid prediction of transition-metal activity by improved scaling relations

Physical chemistry chemical physics : PCCP, 2019-09, Vol.21 (35), p.19269-1928

2019

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Simulating high-pressure surface reactions with molecular beams

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (3), p.177-1776

2024

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An approach to calculate the free energy changes of surface reactions using free energy decomposition on ab initio brute-force molecular dynamics trajectories

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (37), p.21340-21349

2020

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On-surface synthesis of ethers through dehydrative coupling of hydroxymethyl substituents

Physical chemistry chemical physics : PCCP, 2022-09, Vol.24 (36), p.22122-22128

2022

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Kinetics of contracting geometry-type reactions in the solid state: implications from the thermally induced transformation processes of α-oxalic acid dihydrate

Physical chemistry chemical physics : PCCP, 2020-09, Vol.22 (35), p.1956-19572

2020

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Comparative study on formic acid sensing properties of flame-made Zn2SnO4 nanoparticles and its parent metal oxides

Physical chemistry chemical physics : PCCP, 2023-06, Vol.25 (22), p.15407-15421

2023

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Activating lattice oxygen of single-layer ZnO for the catalytic oxidation reaction

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.2121-2127

2023

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Mechanism and microkinetics of the Fischer―Tropsch reaction

Surface chemistry of TiO2 connecting thermal catalysis and photocatalysis

When classical trajectories get to quantum accuracy: II. The scattering of rotationally excited H2 on Pd(111)

Individual effects of atmospheric water vapor and carbon dioxide on the kinetics of the thermal decomposition of granular malachite

Recent advances in organic molecule reactions on metal surfaces

Pore size effects on surface charges and interfacial electrostatics of mesoporous silicas

The physico-geometrical reaction pathway and kinetics of multistep thermal dehydration of calcium chloride dihydrate in a dry nitrogen stream

A theoretical study on the surface reaction of tetrakis(dimethylamino)titanium on titanium oxide

A caveat of the charge-extrapolation scheme for modeling electrochemical reactions on semiconductor surfaces: an issue induced by a discontinuous Fermi level change

Water vapor effect on the physico-geometrical reaction pathway and kinetics of the multistep thermal dehydration of calcium chloride dihydrate

Ab initio molecular dynamics of atomic-scale surface reactions: insights into metal organic chemical vapor deposition of AlN on graphene

On-surface polymerization reactions of dibrominated hexaphenylbenzene influenced by densely packed self-assembly

Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis

Surface chemistry at the solid–solid interface: mechanically induced reaction pathways of C8 carboxylic acid monolayers on copper

Probing interfacial charge transfer in heterojunctions for photocatalysis

Formation of HCN+ in collisions of N+ and N2+ with a self-assembled propanethiol surface on gold

The effect of collisions on the chemomechanics of ice-covered silica slabs: a molecular dynamics study

Physico-geometrical kinetic insight into multistep thermal dehydration of calcium hydrogen phosphate dihydrate

Towards rational catalyst design: boosting the rapid prediction of transition-metal activity by improved scaling relations

Simulating high-pressure surface reactions with molecular beams

An approach to calculate the free energy changes of surface reactions using free energy decomposition on ab initio brute-force molecular dynamics trajectories

On-surface synthesis of ethers through dehydrative coupling of hydroxymethyl substituents

Kinetics of contracting geometry-type reactions in the solid state: implications from the thermally induced transformation processes of α-oxalic acid dihydrate

Comparative study on formic acid sensing properties of flame-made Zn2SnO4 nanoparticles and its parent metal oxides

Activating lattice oxygen of single-layer ZnO for the catalytic oxidation reaction

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