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Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study

Journal of the American Chemical Society, 2017-09, Vol.139 (36), p.12480-12487

2017

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Interactions between the Aryldiazonium Cations and Graphene Oxide: A DFT Study

Journal of chemistry, 2019-01, Vol.2019, p.1-5

2019

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Carbon-Doped Boron Nitride Nanosheet: An Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction

Journal of physical chemistry. C, 2015-11, Vol.119 (47), p.26348-26354

2015

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Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions

Angewandte Chemie (International ed.), 2015-03, Vol.54 (10), p.3112-3115

International ed. in English, 2015

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Graphene chemistry: theoretical perspectives.

1, 2013

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Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts

Journal of the American Chemical Society, 2020-03, Vol.142 (12), p.5709-5721

2020

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Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratio

Nature communications, 2016-05, Vol.7 (1), p.11488-11488, Article 11488

2016

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Graphene-related nanomaterials: tuning properties by functionalization

Nanoscale, 2013-06, Vol.5 (11), p.4541-4583

2013

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PdSeO3 Monolayer: Promising Inorganic 2D Photocatalyst for Direct Overall Water Splitting Without Using Sacrificial Reagents and Cocatalysts

Journal of the American Chemical Society, 2018-09, Vol.140 (38), p.12256-12262

2018

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Controllable CO2 electrocatalytic reduction via ferroelectric switching on single atom anchored In2Se3 monolayer

Nature communications, 2021-08, Vol.12 (1), p.5128-5128, Article 5128

2021

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Defect-rich and ultrathin N doped carbon nanosheets as advanced trifunctional metal-free electrocatalysts for the ORR, OER and HER

Energy & environmental science, 2019-01, Vol.12 (1), p.322-333

2019

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Simultaneously Achieving High Activity and Selectivity toward Two-Electron O2 Electroreduction: The Power of Single-Atom Catalysts

ACS catalysis, 2019-12, Vol.9 (12), p.11042-11054

2019

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Planar Hypercoordinate Motifs in Two-Dimensional Materials

Accounts of chemical research, 2020-04, Vol.53 (4), p.887-895

2020

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MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties

Journal of the American Chemical Society, 2008-12, Vol.130 (49), p.16739-16744

2008

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Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study

Nanoscale, 2015-01, Vol.7 (27), p.11633-11641

2015

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Flexible structural and electronic properties of a pentagonal B2C monolayer via external strain: a computational investigation

Physical chemistry chemical physics : PCCP, 2015-10, Vol.17 (37), p.24151-24156

2015

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Metallic VS2 Monolayer: A Promising 2D Anode Material for Lithium Ion Batteries

Journal of physical chemistry. C, 2013-12, Vol.117 (48), p.25409-25413

2013

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Spin Gapless Semiconductor−Metal−Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons

ACS nano, 2009-07, Vol.3 (7), p.1952-1958

2009

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Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

Angewandte Chemie (International ed.), 2016-01, Vol.55 (5), p.1666-1669

2016

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Exohedral functionalization of endohedral metallofullerenes: Interplay between inside and outside

Coordination chemistry reviews, 2019-06, Vol.388, p.406-439

2019

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CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts

Journal of physical chemistry. C, 2010-04, Vol.114 (14), p.6250-6254

2010

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Recent progress in 2D group-VA semiconductors: from theory to experiment

Chemical Society reviews, 2018-02, Vol.47 (3), p.982-121

2018

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Small Dopants Make Big Differences: Enhanced Electrocatalytic Performance of MoS2 Monolayer for Oxygen Reduction Reaction (ORR) by N– and P–Doping

Electrochimica acta, 2017-01, Vol.225, p.543-550

2017

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Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO Oxidation

Journal of physical chemistry. C, 2012-01, Vol.116 (3), p.2507-2514

2012

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Versatile Electronic Properties of VSe2 Bulk, Few-Layers, Monolayer, Nanoribbons, and Nanotubes: A Computational Exploration

Journal of physical chemistry. C, 2014-09, Vol.118 (36), p.21264-21274

2014

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Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study

Interactions between the Aryldiazonium Cations and Graphene Oxide: A DFT Study

Carbon-Doped Boron Nitride Nanosheet: An Efficient Metal-Free Electrocatalyst for the Oxygen Reduction Reaction

Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions

Graphene chemistry: theoretical perspectives.

Tackling the Activity and Selectivity Challenges of Electrocatalysts toward the Nitrogen Reduction Reaction via Atomically Dispersed Biatom Catalysts

Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratio

Graphene-related nanomaterials: tuning properties by functionalization

PdSeO3 Monolayer: Promising Inorganic 2D Photocatalyst for Direct Overall Water Splitting Without Using Sacrificial Reagents and Cocatalysts

Controllable CO2 electrocatalytic reduction via ferroelectric switching on single atom anchored In2Se3 monolayer

Defect-rich and ultrathin N doped carbon nanosheets as advanced trifunctional metal-free electrocatalysts for the ORR, OER and HER

Simultaneously Achieving High Activity and Selectivity toward Two-Electron O2 Electroreduction: The Power of Single-Atom Catalysts

Planar Hypercoordinate Motifs in Two-Dimensional Materials

MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties

Two-dimensional iron-phthalocyanine (Fe-Pc) monolayer as a promising single-atom-catalyst for oxygen reduction reaction: a computational study

Flexible structural and electronic properties of a pentagonal B2C monolayer via external strain: a computational investigation

Metallic VS2 Monolayer: A Promising 2D Anode Material for Lithium Ion Batteries

Spin Gapless Semiconductor−Metal−Half-Metal Properties in Nitrogen-Doped Zigzag Graphene Nanoribbons

Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

Exohedral functionalization of endohedral metallofullerenes: Interplay between inside and outside

CO Catalytic Oxidation on Iron-Embedded Graphene: Computational Quest for Low-Cost Nanocatalysts

Recent progress in 2D group-VA semiconductors: from theory to experiment

Small Dopants Make Big Differences: Enhanced Electrocatalytic Performance of MoS2 Monolayer for Oxygen Reduction Reaction (ORR) by N– and P–Doping

Fe-Anchored Graphene Oxide: A Low-Cost and Easily Accessible Catalyst for Low-Temperature CO Oxidation

Versatile Electronic Properties of VSe2 Bulk, Few-Layers, Monolayer, Nanoribbons, and Nanotubes: A Computational Exploration

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