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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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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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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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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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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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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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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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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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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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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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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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Synergetic effect of localized and delocalized π electron on Li storage properties of Si/C heterostructures

Carbon (New York), 2021-01, Vol.171, p.257-264

2021

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Structural and Electronic Descriptors of Catalytic Activity of Graphene‐Based Materials: First‐Principles Theoretical Analysis

Small (Weinheim an der Bergstrasse, Germany), 2018-03, Vol.14 (10), p.n/a

2018

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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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Nanoconfinement Effect in Water Processable Discrete Molecular Complex-Based Hybrid Piezo- and Thermo-Electric Nanogenerator

Nano letters, 2024-07, Vol.24 (26), p.7861-7867

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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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

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

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

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

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

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

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

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

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

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

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

Synergetic effect of localized and delocalized π electron on Li storage properties of Si/C heterostructures

Structural and Electronic Descriptors of Catalytic Activity of Graphene‐Based Materials: First‐Principles Theoretical Analysis

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

Nanoconfinement Effect in Water Processable Discrete Molecular Complex-Based Hybrid Piezo- and Thermo-Electric Nanogenerator

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

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