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Boron‐ and nitrogen‐doped penta‐graphene as a promising material for hydrogen storage: A computational study

International journal of energy research, 2019-07, Vol.43 (9), p.4867-4878

2019

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A new carbon allotrope: Penta-graphene as a metal-free catalyst for CO oxidation

Carbon (New York), 2017-04, Vol.114, p.465-472

2017

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Synergistic Functionality of Dopants and Defects in Co‐Phthalocyanine/B‐CN Z‐Scheme Photocatalysts for Promoting Photocatalytic CO2 Reduction Reactions

Small (Weinheim an der Bergstrasse, Germany), 2023-06, Vol.19 (25), p.e2208179-n/a

2023

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Nitrogen‐doped C60 as a robust catalyst for CO oxidation

Journal of computational chemistry, 2017-09, Vol.38 (23), p.2041-2046

2017

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Unraveling electrochemical oxygen reduction mechanism on single‐atom catalysts by a computational investigation

International journal of energy research, 2022-02, Vol.46 (2), p.1032-1042

2022

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Catalytic CO oxidation on B-doped and BN co-doped penta-graphene: a computational study

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (41), p.26414-26421

2018

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Solvent‐Dependent Enantiodivergent Friedel‐Crafts Reaction of Arylsulfonyl Indoles with 1‐Naphthols

Advanced synthesis & catalysis, 2020-02, Vol.362 (4), p.903-912

2020

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Regulating the Coordination Environment of Single-Atom Catalysts Anchored on Thiophene Linked Porphyrin for an Efficient Nitrogen Reduction Reaction

ACS applied materials & interfaces, 2023-03, Vol.15 (12), p.15545-15560

2023

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Catalytic ethylene oxidation by Cu–Au core–shell nanoclusters: a computational study

Theoretical chemistry accounts, 2020-03, Vol.139 (3), Article 57

2020

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Structure, Bonding, and Catalytic Properties of Defect Graphene Coordinated Pd–Ni Nanoparticles

Journal of physical chemistry. C, 2017-07, Vol.121 (27), p.14668-14677

2017

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A Theoretical Study of Surface Reduction Mechanisms of CeO2(111) and (110) by H2

Chemphyschem, 2007-04, Vol.8 (6), p.849-855

2007

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Nitrogen-doped porous carbon material derived from metal-organic gel for small biomolecular sensing

Chemical communications (Cambridge, England), 2017-05, Vol.53 (42), p.5725-5728

2017

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Characterization of O2-CeO2 Interactions Using In Situ Raman Spectroscopy and First-Principle Calculations

Chemphyschem, 2006-09, Vol.7 (9), p.1957-1963

2006

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The interaction of hydrogen with heteroatoms (B, N)-doped porous graphene: A computational study

Chemical papers, 2022-02, Vol.76 (2), p.1009-1017

2022

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Monitoring the Effect of Different Metal Centers in Metal–Organic Frameworks and Their Adsorption of Aromatic Molecules using Experimental and Simulation Studies

Chemistry : a European journal, 2018-09, Vol.24 (53), p.14044-14047

2018

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Nitrogen-doped penta-graphene as a superior catalytic activity for CO oxidation

Carbon (New York), 2018-06, Vol.132, p.257-262

2018

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Synthesis and characterization of biodegradable–electroactive polymer–Au nanocomposite materials for H2S sensing

Express polymer letters, 2022-10, Vol.16 (10), p.1022-1037

2022

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Electrochemical CO2 reduction on metal-silicon centered single-atom dual site catalyst: A computational study

Applied surface science advances, 2023-12, Vol.18, p.100525, Article 100525

2023

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Charge-regulated, electric-field and combined effect controlled switchable CO2 capture and separation on penta-C2N nanosheet: A computational study

Chemical engineering journal (Lausanne, Switzerland : 1996), 2021-03, Vol.407, p.127194, Article 127194

2021

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A computational study of LiBH4 clusters and enhancement of their hydrogen storage by excess electrons

International journal of energy research, 2017-04, Vol.41 (5), p.747-754

2017

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De novo synthesis and particle size control of iron metal organic framework for diclofenac drug delivery

Microporous and mesoporous materials, 2020-12, Vol.309, p.110495, Article 110495

2020

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First-Principles Study of CO Adsorption and Oxidation on Ru-Doped CeO 2 (111) Surface

Journal of physical chemistry. C, 2012-03, Vol.116 (10), p.6239-6246

Chen, Hsin-Tsung

2012

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Mechanistic understanding on effect of doping nitrogen with graphene supported single-atom Fe toward electrochemical CO2 reduction: A computational consideration

Applied surface science, 2023-09, Vol.630, p.157390, Article 157390

2023

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Synthesis, density functional theory (DFT) studies and urease inhibition activity of chiral benzimidazoles

Heliyon, 2020-10, Vol.6 (10), p.e05187-e05187, Article e05187

2020

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A new carbon allotrope: Biphenylene as promising anode materials for Li-ion and Li O2 batteries

Solid state ionics, 2023-07, Vol.395, p.116214, Article 116214

2023

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Boron‐ and nitrogen‐doped penta‐graphene as a promising material for hydrogen storage: A computational study

A new carbon allotrope: Penta-graphene as a metal-free catalyst for CO oxidation

Synergistic Functionality of Dopants and Defects in Co‐Phthalocyanine/B‐CN Z‐Scheme Photocatalysts for Promoting Photocatalytic CO2 Reduction Reactions

Nitrogen‐doped C60 as a robust catalyst for CO oxidation

Unraveling electrochemical oxygen reduction mechanism on single‐atom catalysts by a computational investigation

Catalytic CO oxidation on B-doped and BN co-doped penta-graphene: a computational study

Solvent‐Dependent Enantiodivergent Friedel‐Crafts Reaction of Arylsulfonyl Indoles with 1‐Naphthols

Regulating the Coordination Environment of Single-Atom Catalysts Anchored on Thiophene Linked Porphyrin for an Efficient Nitrogen Reduction Reaction

Catalytic ethylene oxidation by Cu–Au core–shell nanoclusters: a computational study

Structure, Bonding, and Catalytic Properties of Defect Graphene Coordinated Pd–Ni Nanoparticles

A Theoretical Study of Surface Reduction Mechanisms of CeO2(111) and (110) by H2

Nitrogen-doped porous carbon material derived from metal-organic gel for small biomolecular sensing

Characterization of O2-CeO2 Interactions Using In Situ Raman Spectroscopy and First-Principle Calculations

The interaction of hydrogen with heteroatoms (B, N)-doped porous graphene: A computational study

Monitoring the Effect of Different Metal Centers in Metal–Organic Frameworks and Their Adsorption of Aromatic Molecules using Experimental and Simulation Studies

Nitrogen-doped penta-graphene as a superior catalytic activity for CO oxidation

Synthesis and characterization of biodegradable–electroactive polymer–Au nanocomposite materials for H2S sensing

Electrochemical CO2 reduction on metal-silicon centered single-atom dual site catalyst: A computational study

Charge-regulated, electric-field and combined effect controlled switchable CO2 capture and separation on penta-C2N nanosheet: A computational study

A computational study of LiBH4 clusters and enhancement of their hydrogen storage by excess electrons

De novo synthesis and particle size control of iron metal organic framework for diclofenac drug delivery

First-Principles Study of CO Adsorption and Oxidation on Ru-Doped CeO 2 (111) Surface

Mechanistic understanding on effect of doping nitrogen with graphene supported single-atom Fe toward electrochemical CO2 reduction: A computational consideration

Synthesis, density functional theory (DFT) studies and urease inhibition activity of chiral benzimidazoles

A new carbon allotrope: Biphenylene as promising anode materials for Li-ion and Li O2 batteries

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