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Coordination of Atomic Co–Pt Coupling Species at Carbon Defects as Active Sites for Oxygen Reduction Reaction

Journal of the American Chemical Society, 2018-08, Vol.140 (34), p.10757-10763

2018

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Understanding the Origin of Li2MnO3 Activation in Li-Rich Cathode Materials for Lithium-Ion Batteries

Advanced functional materials, 2015-12, Vol.25 (48), p.7488-7496

2015

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Lithium storage on carbon nitride, graphenylene and inorganic graphenylene

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (21), p.14205-14215

2016

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Evaluating the Catalytic Efficiency of Paired, Single-Atom Catalysts for the Oxygen Reduction Reaction

ACS catalysis, 2019-09, Vol.9 (9), p.7660-7667

2019

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Graphenylene Monolayers Doped with Alkali or Alkaline Earth Metals: Promising Materials for Clean Energy Storage

Journal of physical chemistry. C, 2017-07, Vol.121 (27), p.14393-14400

2017

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Enhanced CO2 photocatalytic reduction on alkali-decorated graphitic carbon nitride

Applied catalysis. B, Environmental, 2017-11, Vol.216, p.146-155

2017

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Computational Evaluation of Lithium-Functionalized Carbon Nitride (g‑C6N8) Monolayer as an Efficient Hydrogen Storage Material

Journal of physical chemistry. C, 2016-11, Vol.120 (44), p.25180-25188

2016

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Insights into the trapping mechanism of light metals on C2N-h2D: Utilisation as an anode material for metal ion batteries

Carbon (New York), 2020-04, Vol.160, p.125-132

2020

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Improving Sensing of Sulfur-Containing Gas Molecules with ZnO Monolayers by Implanting Dopants and Defects

Journal of physical chemistry. C, 2017-11, Vol.121 (44), p.24365-24375

2017

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Lithium and Sodium Storage on Graphitic Carbon Nitride

Journal of physical chemistry. C, 2015-09, Vol.119 (38), p.21921-21927

2015

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Unlocking the potential of commercial carbon nanofibers as free-standing positive electrodes for flexible aluminum ion batteries

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (25), p.15123-1513

2019

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Carbon nitrides as cathode materials for aluminium ion batteries

Carbon (New York), 2021-10, Vol.183, p.546-559

2021

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Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: A density functional theory study

Carbon (New York), 2018-09, Vol.136, p.73-84

2018

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Sodium-intercalated bulk graphdiyne as an anode material for rechargeable batteries

Journal of power sources, 2017-03, Vol.343, p.354-363

2017

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Three-Dimensional Silicon Carbide from Siligraphene as a High Capacity Lithium Ion Battery Anode Material

Journal of physical chemistry. C, 2019-11, Vol.123 (45), p.27295-27304

2019

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Capacitance-enhanced sodium-ion storage in nitrogen-rich hard carbon

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (42), p.22186-22192

2017

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Accurate prediction of binding energies for two‐dimensional catalytic materials using machine learning

ChemCatChem, 2020-10, Vol.12 (20), p.5109-5120

2020

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Dynamics of the D+ + H2 and H+ + D2 reactions: a detailed comparison between theory and experiment

Physical chemistry chemical physics : PCCP, 2012-03, Vol.14 (1), p.3346-3359

2012

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Interaction of Boron Nitride Nanotubes with Aluminum: A Computational Study

Journal of physical chemistry. C, 2018-07, Vol.122 (27), p.15226-15240

2018

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Graphdiyne and Hydrogen-Substituted Graphdiyne as Potential Cathode Materials for High-Capacity Aluminum-Ion Batteries

ACS applied energy materials, 2020-08, Vol.3 (8), p.7404-7415

2020

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Nearside-farside, local angular momentum and resummation theories: Useful tools for understanding the dynamics of complex-mode reactions

AIP advances, 2015-07, Vol.5 (7), p.077160-077160-18

2015

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Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction

Journal of chemical information and modeling, 2019-05, Vol.59 (5), p.2242-2247

2019

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The dynamics of the H + + D2 reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results

Physical chemistry chemical physics : PCCP, 2010-02, Vol.12 (5), p.1102-1115

2010

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Computational Studies of the Interaction of Carbon Dioxide with Graphene-Supported Titanium Dioxide

Journal of physical chemistry. C, 2015-12, Vol.119 (52), p.29044-29051

2015

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Energy dependent dynamics of the O(1D) + HCl reaction: a quantum, quasiclassical and statistical study

Physical chemistry chemical physics : PCCP, 2011-05, Vol.13 (18), p.8502-8514

2011

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Coordination of Atomic Co–Pt Coupling Species at Carbon Defects as Active Sites for Oxygen Reduction Reaction

Understanding the Origin of Li2MnO3 Activation in Li-Rich Cathode Materials for Lithium-Ion Batteries

Lithium storage on carbon nitride, graphenylene and inorganic graphenylene

Evaluating the Catalytic Efficiency of Paired, Single-Atom Catalysts for the Oxygen Reduction Reaction

Graphenylene Monolayers Doped with Alkali or Alkaline Earth Metals: Promising Materials for Clean Energy Storage

Enhanced CO2 photocatalytic reduction on alkali-decorated graphitic carbon nitride

Computational Evaluation of Lithium-Functionalized Carbon Nitride (g‑C6N8) Monolayer as an Efficient Hydrogen Storage Material

Insights into the trapping mechanism of light metals on C2N-h2D: Utilisation as an anode material for metal ion batteries

Improving Sensing of Sulfur-Containing Gas Molecules with ZnO Monolayers by Implanting Dopants and Defects

Lithium and Sodium Storage on Graphitic Carbon Nitride

Unlocking the potential of commercial carbon nanofibers as free-standing positive electrodes for flexible aluminum ion batteries

Carbon nitrides as cathode materials for aluminium ion batteries

Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: A density functional theory study

Sodium-intercalated bulk graphdiyne as an anode material for rechargeable batteries

Three-Dimensional Silicon Carbide from Siligraphene as a High Capacity Lithium Ion Battery Anode Material

Capacitance-enhanced sodium-ion storage in nitrogen-rich hard carbon

Accurate prediction of binding energies for two‐dimensional catalytic materials using machine learning

Dynamics of the D+ + H2 and H+ + D2 reactions: a detailed comparison between theory and experiment

Interaction of Boron Nitride Nanotubes with Aluminum: A Computational Study

Graphdiyne and Hydrogen-Substituted Graphdiyne as Potential Cathode Materials for High-Capacity Aluminum-Ion Batteries

Nearside-farside, local angular momentum and resummation theories: Useful tools for understanding the dynamics of complex-mode reactions

Doping Effects on the Performance of Paired Metal Catalysts for the Hydrogen Evolution Reaction

The dynamics of the H + + D2 reaction: a comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results

Computational Studies of the Interaction of Carbon Dioxide with Graphene-Supported Titanium Dioxide

Energy dependent dynamics of the O(1D) + HCl reaction: a quantum, quasiclassical and statistical study

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