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A promising single atom catalyst for CO oxidation: Ag on boron vacancies of h-BN sheets

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (25), p.16795-16805

2017

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Graphyne as a promising substrate for the noble-metal single-atom catalysts

Carbon (New York), 2015-12, Vol.95, p.756-765

2015

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Interfacial and electronic band structure optimization for the adsorption and visible-light photocatalytic activity of macroscopic ZnSnO3/graphene aerogel

Composites. Part B, Engineering, 2021-06, Vol.215, p.108765, Article 108765

2021

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Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation

Applied surface science, 2014-07, Vol.308, p.402-407

2014

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CO catalytic oxidation on iron-embedded monolayer MoS2

Applied surface science, 2015-02, Vol.328, p.71-77

2015

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Single Pt atom stabilized on nitrogen doped graphene: CO oxidation readily occurs via the tri-molecular Eley-Rideal mechanism

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (30), p.20006-20013

2015

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Interfacial properties of NM/CeO2(111) (NM = noble metal atoms or clusters of Pd, Pt and Rh): a first principles study

Journal of physics. Condensed matter, 2010-12, Vol.22 (47), p.475003

2010

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Research on the mechanism of interactions between Li/Na/K atoms and electrode materials

Applied physics letters, 2023-11, Vol.123 (20)

2023

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CO oxidation catalyzed by the single Co atom embedded hexagonal boron nitride nanosheet: a DFT-D study

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (31), p.21865-21870

2016

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Effect of lattice strain on the oxygen vacancy formation and hydrogen adsorption at CeO2(111) surface

Physics letters. A, 2014-07, Vol.378 (34), p.2570-2575

2014

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Tuning the catalytic property of non-noble metallic impurities in graphene

Carbon (New York), 2014-05, Vol.71, p.139-149

2014

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Direct CO oxidation by lattice oxygen on the SnO2(110) surface: a DFT study

Physical chemistry chemical physics : PCCP, 2014-06, Vol.16 (24), p.12488-12494

2014

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Oxygen vacancy formation energy in Pd-doped ceria: A DFT + U study

The Journal of chemical physics, 2007-08, Vol.127 (7), p.074704-074704-5

2007

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Sulfidation of Ceria Surfaces from Sulfur and Sulfur Diffusion

Journal of physical chemistry. C, 2012-04, Vol.116 (15), p.8417-8425

2012

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Electronic structure and optical properties for blue phosphorene/graphene-like GaN van der Waals heterostructures

Current Applied Physics, 2017, 17(12), , pp.1714-1720

2017

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A New Mars‐van Krevelen Mechanism for CO Oxidation on a Ti‐Decorated MXene

Advanced materials interfaces, 2023-10, Vol.10 (29), p.n/a

2023

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First-principles studies of BN sheets with absorbed transition metal single atoms or dimers: stabilities, electronic structures, and magnetic properties

Journal of physics. Condensed matter, 2012-04, Vol.24 (14), p.145501-8

2012

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Intercalation assisted liquid phase production of disulfide zirconium nanosheets for efficient electrocatalytic dinitrogen reduction to ammonia

Green energy & environment, 2023-08, Vol.8 (4), p.1174-1184

2023

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The mechanism of sulfur poisoning on the nickel/yttrium-stabilized zirconia anode of solid oxide fuel cells: The role of the oxygen vacancy

Journal of power sources, 2013-09, Vol.237, p.128-131

2013

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Pd1/BN as a promising single atom catalyst of CO oxidation: a dispersion-corrected density functional theory study

2015

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Can H2S poison the surface of yttria-stabilized zirconia?

International journal of hydrogen energy, 2013-07, Vol.38 (21), p.8974-8979

2013

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Facilitated vacancy formation at Zr-doped ceria(1 1 1) surfaces

Surface science, 2008-03, Vol.602 (6), p.1199-1206

2008

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Structural Evolution of AlN Nanoclusters and the Elemental Chemisorption Characteristics: Atomistic Insight

Nanomaterials (Basel, Switzerland), 2019-10, Vol.9 (10), p.1420

2019

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First-principles calculations of structural, electronic, magnetic and elastic properties of Mo2FeB2 under high pressure

Royal Society open science, 2018-07, Vol.5 (7), p.172247-172247

2018

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Depletion NOx Made Easy by Nitrogen Doped Graphene

Catalysis letters, 2014, Vol.144 (6), p.1016-1022

2014

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A promising single atom catalyst for CO oxidation: Ag on boron vacancies of h-BN sheets

Graphyne as a promising substrate for the noble-metal single-atom catalysts

Interfacial and electronic band structure optimization for the adsorption and visible-light photocatalytic activity of macroscopic ZnSnO3/graphene aerogel

Theoretical study on the Si-doped graphene as an efficient metal-free catalyst for CO oxidation

CO catalytic oxidation on iron-embedded monolayer MoS2

Single Pt atom stabilized on nitrogen doped graphene: CO oxidation readily occurs via the tri-molecular Eley-Rideal mechanism

Interfacial properties of NM/CeO2(111) (NM = noble metal atoms or clusters of Pd, Pt and Rh): a first principles study

Research on the mechanism of interactions between Li/Na/K atoms and electrode materials

CO oxidation catalyzed by the single Co atom embedded hexagonal boron nitride nanosheet: a DFT-D study

Effect of lattice strain on the oxygen vacancy formation and hydrogen adsorption at CeO2(111) surface

Tuning the catalytic property of non-noble metallic impurities in graphene

Direct CO oxidation by lattice oxygen on the SnO2(110) surface: a DFT study

Oxygen vacancy formation energy in Pd-doped ceria: A DFT + U study

Sulfidation of Ceria Surfaces from Sulfur and Sulfur Diffusion

Electronic structure and optical properties for blue phosphorene/graphene-like GaN van der Waals heterostructures

A New Mars‐van Krevelen Mechanism for CO Oxidation on a Ti‐Decorated MXene

First-principles studies of BN sheets with absorbed transition metal single atoms or dimers: stabilities, electronic structures, and magnetic properties

Intercalation assisted liquid phase production of disulfide zirconium nanosheets for efficient electrocatalytic dinitrogen reduction to ammonia

The mechanism of sulfur poisoning on the nickel/yttrium-stabilized zirconia anode of solid oxide fuel cells: The role of the oxygen vacancy

Pd1/BN as a promising single atom catalyst of CO oxidation: a dispersion-corrected density functional theory study

Can H2S poison the surface of yttria-stabilized zirconia?

Facilitated vacancy formation at Zr-doped ceria(1 1 1) surfaces

Structural Evolution of AlN Nanoclusters and the Elemental Chemisorption Characteristics: Atomistic Insight

First-principles calculations of structural, electronic, magnetic and elastic properties of Mo2FeB2 under high pressure

Depletion NOx Made Easy by Nitrogen Doped Graphene

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