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Advanced catalyst

Catalysis today, 2021-06, Vol.370, p.1-1

Thapa, Ranjit

2021

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Promoting reactivity of graphene based catalysts to achieve LH mechanism for CO oxidation

Catalysis today, 2021-06, Vol.370, p.142-150

2021

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Anisotropic phenanthroline-based ruthenium polymers grafted on a titanium metal-organic framework for efficient photocatalytic hydrogen evolution

Communications chemistry, 2022-12, Vol.5 (1), p.165-165, Article 165

2022

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C2 Product Formation over the C1 Product and HER on the 111 Plane of Specific Cu Alloy Nanoparticles Identified through Multiparameter Optimization

Inorganic chemistry, 2024-01, Vol.63 (2), p.1462-1470

2024

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Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for the eNRR

Chemical science (Cambridge), 2022-08, Vol.13 (34), p.10003-10010

2022

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One-pot solvothermal synthesis of Co2P nanoparticles: An efficient HER and OER electrocatalysts

International journal of hydrogen energy, 2021-06, Vol.46 (42), p.21924-21938

2021

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Iron phthalocyanine hollow architecture enabled ammonia production via nitrate reduction to achieve 100 % Faradaic efficiency

Applied catalysis. B, Environmental, 2024-04, Vol.343, p.123580, Article 123580

2024

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Influence of enolate/epoxy configuration, doping and vacancy on the catalytic activity of graphene

RSC advances, 2015, Vol.5 (113), p.93215-93225

2015

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First-principles identification of interface effect on Li storage capacity of C3N/graphene multilayer heterostructure

Journal of colloid and interface science, 2022-03, Vol.610, p.80-88

2022

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Advanced electrocatalysts for NRR and HER: Experimental and computational design and development

Catalysis today, 2024-01, Vol.425, p.114295, Article 114295

2024

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Strengthening the Metal Center of Co–N4 Active Sites in a 1D–2D Heterostructure for Nitrate and Nitrogen Reduction Reaction to Ammonia

ACS sustainable chemistry & engineering, 2023-04, Vol.11 (16), p.6191-6200

2023

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Nanoribbons of 2D materials: A review on emerging trends, recent developments and future perspectives

Coordination chemistry reviews, 2022-02, Vol.453, p.214335, Article 214335

2022

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Computationally exploring the role of S-dopant and S-linker in activating the catalytic efficiency of graphene quantum dot for ORR

Catalysis today, 2021-06, Vol.370, p.36-45

2021

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Energy parameter and electronic descriptor for carbon based catalyst predicted using QM/ML

Applied catalysis. B, Environmental, 2021-06, Vol.286, p.119866, Article 119866

2021

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Controlling the Metal–Ligand Coordination Environment of Manganese Phthalocyanine in 1D–2D Heterostructure for Enhancing Nitrate Reduction to Ammonia

ACS catalysis, 2023-10, Vol.13 (20), p.13516-13527

2023

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Enhanced energy storage performance and theoretical studies of 3D cuboidal manganese diselenides embedded with multiwalled carbon nanotubes

Journal of colloid and interface science, 2021-09, Vol.598, p.500-510

2021

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Metal‐Free Triazine‐Based 2D Covalent Organic Framework for Efficient H 2 Evolution by Electrochemical Water Splitting

ChemSusChem, 2021-11, Vol.14 (22), p.5057-5064

2021

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N‑Heterocyclic Carbene Moiety in Highly Porous Organic Hollow Nanofibers for Efficient CO2 Conversions: A Comparative Experimental and Theoretical Study

ACS catalysis, 2024-01, Vol.14 (2), p.718-727

2024

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Integrating Ultrasmall Pd NPs into Core–Shell Imidazolate Frameworks for Photocatalytic Hydrogen and MeOH Production

Inorganic chemistry, 2023-05, Vol.62 (19), p.7235-7249

2023

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Engineering hydrophobic–aerophilic interfaces to boost N2 diffusion and reduction through functionalization of fluorine in second coordination spheres

Chemical science (Cambridge), 2023-08, Vol.14 (33), p.8936-8945

2023

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Rules of Boron-Nitrogen Doping in Defect Graphene Sheets: A First-Principles Investigation of Band-Gap Tuning and Oxygen Reduction Reaction Catalysis Capabilities

Chemphyschem, 2014-08, Vol.15 (12), p.2542-2549

2014

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First-principles identification of CO oxidation via LH mechanism over ER mechanism on metal-boron centered single-metal dual site catalyst

Molecular catalysis, 2023-01, Vol.535, p.112885, Article 112885

2023

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Crystallinity and interfacial Mo–N–C bond engineered MoS2 embedded graphitic nitrogen doped carbon hollow sphere for enhanced HER activity

International journal of hydrogen energy, 2024-02, Vol.56, p.570-581

2024

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Highly efficient catalysts of ruthenium clusters on Fe3O4/MWCNTs for the hydrogen evolution reaction

New journal of chemistry, 2022-03, Vol.46 (15), p.7014-7023

2022

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Photon driven nitrogen fixation via Ni-incorporated ZrO2/Bi2O3: p-n heterojunction

Catalysis today, 2023-08, Vol.420, p.114034, Article 114034

2023

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Advanced catalyst

Promoting reactivity of graphene based catalysts to achieve LH mechanism for CO oxidation

Anisotropic phenanthroline-based ruthenium polymers grafted on a titanium metal-organic framework for efficient photocatalytic hydrogen evolution

C2 Product Formation over the C1 Product and HER on the 111 Plane of Specific Cu Alloy Nanoparticles Identified through Multiparameter Optimization

Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for the eNRR

One-pot solvothermal synthesis of Co2P nanoparticles: An efficient HER and OER electrocatalysts

Iron phthalocyanine hollow architecture enabled ammonia production via nitrate reduction to achieve 100 % Faradaic efficiency

Influence of enolate/epoxy configuration, doping and vacancy on the catalytic activity of graphene

First-principles identification of interface effect on Li storage capacity of C3N/graphene multilayer heterostructure

Advanced electrocatalysts for NRR and HER: Experimental and computational design and development

Strengthening the Metal Center of Co–N4 Active Sites in a 1D–2D Heterostructure for Nitrate and Nitrogen Reduction Reaction to Ammonia

Nanoribbons of 2D materials: A review on emerging trends, recent developments and future perspectives

Computationally exploring the role of S-dopant and S-linker in activating the catalytic efficiency of graphene quantum dot for ORR

Energy parameter and electronic descriptor for carbon based catalyst predicted using QM/ML

Controlling the Metal–Ligand Coordination Environment of Manganese Phthalocyanine in 1D–2D Heterostructure for Enhancing Nitrate Reduction to Ammonia

Enhanced energy storage performance and theoretical studies of 3D cuboidal manganese diselenides embedded with multiwalled carbon nanotubes

Metal‐Free Triazine‐Based 2D Covalent Organic Framework for Efficient H 2 Evolution by Electrochemical Water Splitting

N‑Heterocyclic Carbene Moiety in Highly Porous Organic Hollow Nanofibers for Efficient CO2 Conversions: A Comparative Experimental and Theoretical Study

Integrating Ultrasmall Pd NPs into Core–Shell Imidazolate Frameworks for Photocatalytic Hydrogen and MeOH Production

Engineering hydrophobic–aerophilic interfaces to boost N2 diffusion and reduction through functionalization of fluorine in second coordination spheres

Rules of Boron-Nitrogen Doping in Defect Graphene Sheets: A First-Principles Investigation of Band-Gap Tuning and Oxygen Reduction Reaction Catalysis Capabilities

First-principles identification of CO oxidation via LH mechanism over ER mechanism on metal-boron centered single-metal dual site catalyst

Crystallinity and interfacial Mo–N–C bond engineered MoS2 embedded graphitic nitrogen doped carbon hollow sphere for enhanced HER activity

Highly efficient catalysts of ruthenium clusters on Fe3O4/MWCNTs for the hydrogen evolution reaction

Photon driven nitrogen fixation via Ni-incorporated ZrO2/Bi2O3: p-n heterojunction

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