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Metallic Iron–Nickel Sulfide Ultrathin Nanosheets As a Highly Active Electrocatalyst for Hydrogen Evolution Reaction in Acidic Media

Journal of the American Chemical Society, 2015-09, Vol.137 (37), p.11900-11903

2015

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Porous Carbon Materials Based on Graphdiyne Basis Units by the Incorporation of the Functional Groups and Li Atoms for Superior CO2 Capture and Sequestration

ACS applied materials & interfaces, 2017-09, Vol.9 (35), p.30002-30013

2017

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Identifying the functional groups effect on passivating perovskite solar cells

Science bulletin, 2020-10, Vol.65 (20), p.1726-1734

2020

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Inter-site structural heterogeneity induction of single atom Fe catalysts for robust oxygen reduction

Nature communications, 2024-03, Vol.15 (1), p.2062-2062, Article 2062

2024

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Reaction environment self-modification on low-coordination Ni2+ octahedra atomic interface for superior electrocatalytic overall water splitting

Nano research, 2020-11, Vol.13 (11), p.3068-3074

2020

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First-Principles Study of Stability and N2 Activation on the Octahedron RuRh Clusters

Catalysts, 2022-08, Vol.12 (8), p.881

2022

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Theoretical Investigation on Denitrification Mechanism of Piperidine: Effects of Methylation Versus Protonation on C–N Bond Activation

Catalysis letters, 2020-03, Vol.150 (3), p.631-639

2020

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Density Functional Theory Study of the Adsorption and Desulfurization of Thiophene and Its Hydrogenated Derivatives on Pt(111): Implication for the Mechanism of Hydrodesulfurization over Noble Metal Catalysts

ACS catalysis, 2011-11, Vol.1 (11), p.1498-1510

2011

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Methanol dehydrogenation on Rh(1 1 1): A density functional and microkinetic modeling study

Journal of molecular catalysis. A, Chemical, 2011-06, Vol.344 (1), p.99-110

2011

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Density Functional Theory Study of Methanol Steam Reforming on Pt3Sn(111) and the Promotion Effect of a Surface Hydroxy Group

Nanomaterials (Basel, Switzerland), 2024-02, Vol.14 (3), p.318

2024

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Theoretical insight into the desulfurization of thiophene on Pt(110): A density functional investigation

Journal of molecular catalysis. A, Chemical, 2012-11, Vol.363-364, p.18-25

2012

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Methanol oxidation on Ru(0001) for direct methanol fuel cells: analysis of the competitive reaction mechanism

RSC advances, 2016, Vol.6 (3), p.1729-1737

2016

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Initial Hydrogenations of Pyridine on MoP(001): A Density Functional Study

Langmuir, 2012-02, Vol.28 (6), p.3129-3137

2012

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Proximity Electronic Effect of Ni/Co Diatomic Sites for Synergistic Promotion of Electrocatalytic Oxygen Reduction and Hydrogen Evolution

Advanced functional materials, 2023-01, Vol.33 (4), p.n/a

2023

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Decomposition of Methanthiol on Pt(111): A Density Functional Investigation

Langmuir, 2010-07, Vol.26 (14), p.12017-12025

2010

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Molecular simulation of CO2/CH4 adsorption in brown coal: Effect of oxygen-, nitrogen-, and sulfur-containing functional groups

Applied surface science, 2017-11, Vol.423, p.33-42

2017

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Amorphous/amorphous Ni–P/Ni(OH) 2 heterostructure nanotubes for an efficient alkaline hydrogen evolution reaction

Journal of materials chemistry. A, Materials for energy and sustainability, 2021-04, Vol.9 (16), p.10169-10179

2021

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Theoretical investigation of the gas-phase Mn+- and Co+-catalyzed oxidation of benzene by N2O

Physical chemistry chemical physics : PCCP, 2009, Vol.11 (21), p.4219-4229

2009

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CO2-favored metal–organic frameworks SU-101(M) (M = Bi, In, Ga, and Al) with inverse and high selectivity of CO2 from C2H2 and C2H4

Separation and purification technology, 2022-06, Vol.290, p.120804, Article 120804

2022

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ZnO monolayer supported single atom catalysts for efficient nitrogen electroreduction to ammonia

Applied surface science, 2021-07, Vol.555, p.149682, Article 149682

2021

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Importance of metal-oxide interfaces in heterogeneous catalysis: A combined DFT, microkinetic, and experimental study of water-gas shift on Au/MgO

Journal of catalysis, 2017-01, Vol.345 (C), p.157-169

2017

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Targeted bottom-up synthesis of 1T-phase MoS2 arrays with high electrocatalytic hydrogen evolution activity by simultaneous structure and morphology engineering

Nano research, 2018-08, Vol.11 (8), p.4368-4379

2018

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Enhancing the Photoinduced Interlayer Charge Transfer and Spatial Separation in Type-II Heterostructure of WS2 and Asymmetric Janus-MoSSe with Intrinsic Self-Build Electric Field

The journal of physical chemistry letters, 2022-09, Vol.13 (36), p.8484-8494

2022

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Single transition metal atom anchored on g-C3N4 as an electrocatalyst for nitrogen fixation: A computational study

International journal of hydrogen energy, 2023-03, Vol.48 (21), p.7621-7631

2023

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Janus MoSSe monolayer coordinated single B atom as an efficient catalyst for nitrogen reduction to ammonia

Journal of physics. Conference series, 2022-12, Vol.2390 (1), p.12008

2022

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Metallic Iron–Nickel Sulfide Ultrathin Nanosheets As a Highly Active Electrocatalyst for Hydrogen Evolution Reaction in Acidic Media

Porous Carbon Materials Based on Graphdiyne Basis Units by the Incorporation of the Functional Groups and Li Atoms for Superior CO2 Capture and Sequestration

Identifying the functional groups effect on passivating perovskite solar cells

Inter-site structural heterogeneity induction of single atom Fe catalysts for robust oxygen reduction

Reaction environment self-modification on low-coordination Ni2+ octahedra atomic interface for superior electrocatalytic overall water splitting

First-Principles Study of Stability and N2 Activation on the Octahedron RuRh Clusters

Theoretical Investigation on Denitrification Mechanism of Piperidine: Effects of Methylation Versus Protonation on C–N Bond Activation

Density Functional Theory Study of the Adsorption and Desulfurization of Thiophene and Its Hydrogenated Derivatives on Pt(111): Implication for the Mechanism of Hydrodesulfurization over Noble Metal Catalysts

Methanol dehydrogenation on Rh(1 1 1): A density functional and microkinetic modeling study

Density Functional Theory Study of Methanol Steam Reforming on Pt3Sn(111) and the Promotion Effect of a Surface Hydroxy Group

Theoretical insight into the desulfurization of thiophene on Pt(110): A density functional investigation

Methanol oxidation on Ru(0001) for direct methanol fuel cells: analysis of the competitive reaction mechanism

Initial Hydrogenations of Pyridine on MoP(001): A Density Functional Study

Proximity Electronic Effect of Ni/Co Diatomic Sites for Synergistic Promotion of Electrocatalytic Oxygen Reduction and Hydrogen Evolution

Decomposition of Methanthiol on Pt(111): A Density Functional Investigation

Molecular simulation of CO2/CH4 adsorption in brown coal: Effect of oxygen-, nitrogen-, and sulfur-containing functional groups

Amorphous/amorphous Ni–P/Ni(OH) 2 heterostructure nanotubes for an efficient alkaline hydrogen evolution reaction

Theoretical investigation of the gas-phase Mn+- and Co+-catalyzed oxidation of benzene by N2O

CO2-favored metal–organic frameworks SU-101(M) (M = Bi, In, Ga, and Al) with inverse and high selectivity of CO2 from C2H2 and C2H4

ZnO monolayer supported single atom catalysts for efficient nitrogen electroreduction to ammonia

Importance of metal-oxide interfaces in heterogeneous catalysis: A combined DFT, microkinetic, and experimental study of water-gas shift on Au/MgO

Targeted bottom-up synthesis of 1T-phase MoS2 arrays with high electrocatalytic hydrogen evolution activity by simultaneous structure and morphology engineering

Enhancing the Photoinduced Interlayer Charge Transfer and Spatial Separation in Type-II Heterostructure of WS2 and Asymmetric Janus-MoSSe with Intrinsic Self-Build Electric Field

Single transition metal atom anchored on g-C3N4 as an electrocatalyst for nitrogen fixation: A computational study

Janus MoSSe monolayer coordinated single B atom as an efficient catalyst for nitrogen reduction to ammonia

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