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Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: the role of dopant and water in activity and catalytic de-poisoning

Journal of materials chemistry. A, Materials for energy and sustainability, 2014, Vol.2 (32), p.12812-12820

2014

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Advanced catalyst

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

Thapa, Ranjit

2021

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Optimizing CO2RR selectivity on single atom catalysts using graphical construction and identification of energy descriptor

Carbon (New York), 2023-05, Vol.208, p.330-337

2023

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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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Identification of Borophosphene/graphene heterostructure as anode for Li-ion Batteries and its origin

Journal of power sources, 2023-05, Vol.566, p.232947, Article 232947

2023

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Identification of ORR activity of random graphene-based systems using the general descriptor and predictive model equation

Carbon (New York), 2023-01, Vol.201, p.703-711

2023

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Origin of pure and C doped borophene stability and its activity for OER

Applied surface science, 2022-02, Vol.574, p.151613, Article 151613

2022

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Strategic Modulation of Target-Specific Isolated Fe,Co Single-Atom Active Sites for Oxygen Electrocatalysis Impacting High Power Zn–Air Battery

ACS nano, 2022-05, Vol.16 (5), p.7890-7903

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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Scalable Production of Cobalt Phthalocyanine Nanotubes: Efficient and Robust Hollow Electrocatalyst for Ammonia Synthesis at Room Temperature

ACS nano, 2021-03, Vol.15 (3), p.5230-5239

2021

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Controlled Loading of MoS2 on Hierarchical Porous TiO2 for Enhanced Photocatalytic Hydrogen Evolution

Journal of physical chemistry. C, 2021-06, Vol.125 (22), p.11950-11962

2021

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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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Understanding the Site‐Selective Electrocatalytic Co‐Reduction Mechanism for Green Urea Synthesis Using Copper Phthalocyanine Nanotubes

Advanced functional materials, 2022-08, Vol.32 (31), p.n/a

2022

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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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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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2D/3D heterostructure of h-BN/reduced graphite oxide as a remarkable electrode Material for supercapacitor

Journal of power sources, 2020-12, Vol.479, p.229092, Article 229092

2020

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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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Site specific descriptors for oxygen evolution reaction activity on single atom catalysts using QMML

Journal of materials chemistry. A, Materials for energy and sustainability, 2024-07, Vol.12 (30), p.19176-19186

2024

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Fe(TCNQ) 2 nanorod arrays: an efficient electrocatalyst for electrochemical ammonia synthesis via the nitrate reduction reaction

Journal of materials chemistry. A, Materials for energy and sustainability, 2024-02, Vol.12 (6), p.3352-3361

2024

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CO oxidation on Pt based binary and ternary alloy nanocatalysts: Reaction pathways and electronic descriptor

Applied surface science, 2020-10, Vol.528, p.146964, Article 146964

2020

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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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First-Principles Identification of Iodine Exchange Mechanism in Iodide Ionic Liquid

The journal of physical chemistry letters, 2012-10, Vol.3 (20), p.3065-3069

2012

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Doped h-BN monolayer as efficient noble metal-free catalysts for CO oxidation: the role of dopant and water in activity and catalytic de-poisoning

Advanced catalyst

Optimizing CO2RR selectivity on single atom catalysts using graphical construction and identification of energy descriptor

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

Identification of Borophosphene/graphene heterostructure as anode for Li-ion Batteries and its origin

Identification of ORR activity of random graphene-based systems using the general descriptor and predictive model equation

Origin of pure and C doped borophene stability and its activity for OER

Strategic Modulation of Target-Specific Isolated Fe,Co Single-Atom Active Sites for Oxygen Electrocatalysis Impacting High Power Zn–Air Battery

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

Scalable Production of Cobalt Phthalocyanine Nanotubes: Efficient and Robust Hollow Electrocatalyst for Ammonia Synthesis at Room Temperature

Controlled Loading of MoS2 on Hierarchical Porous TiO2 for Enhanced Photocatalytic Hydrogen Evolution

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

Understanding the Site‐Selective Electrocatalytic Co‐Reduction Mechanism for Green Urea Synthesis Using Copper Phthalocyanine Nanotubes

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

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

2D/3D heterostructure of h-BN/reduced graphite oxide as a remarkable electrode Material for supercapacitor

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

Site specific descriptors for oxygen evolution reaction activity on single atom catalysts using QMML

Fe(TCNQ) 2 nanorod arrays: an efficient electrocatalyst for electrochemical ammonia synthesis via the nitrate reduction reaction

CO oxidation on Pt based binary and ternary alloy nanocatalysts: Reaction pathways and electronic descriptor

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

First-Principles Identification of Iodine Exchange Mechanism in Iodide Ionic Liquid

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