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Energetic and electronic structure of penta-graphene nanoribbons

Carbon (New York), 2016-04, Vol.100, p.118-125

2016

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Halide perovskite two-terminal analog memristor capable of photo-activated synaptic weight modulation for neuromorphic computing

Applied physics letters, 2021-05, Vol.118 (18)

2021

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Hot carrier relaxation dynamics of an aza-covalent organic framework during photoexcitation: An insight from ab initio quantum dynamics

The Journal of chemical physics, 2024-04, Vol.160 (16)

2024

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Theoretical Studies on Understanding the Feasibility of Porphyrin-Sensitized Graphene Quantum Dot Solar Cell

Journal of physical chemistry. C, 2015-02, Vol.119 (6), p.3400-3407

2015

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Towards H2O catalyzed N2-fixation over TiO2 doped Run clusters (n = 5, 6): a mechanistic and kinetic approach

Physical chemistry chemical physics : PCCP, 2021-01, Vol.23 (2), p.1527-1538

2021

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Doped GNR p–n Junction as High Performance NDR and Rectifying Device

Journal of physical chemistry. C, 2012-08, Vol.116 (34), p.18064-18069

2012

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Designing dithiolene and bis(iminothiolato)-based 1D metal-organic-frameworks for electrocatalytic hydrogen evolution reaction

Theoretical chemistry accounts, 2023-05, Vol.142 (5), Article 41

2023

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Understanding Properties of Atoms, Molecules and Materials

1, 2022

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Multifunctionalities of an Azine-Linked Covalent Organic Framework: From Nanoelectronics to Nitroexplosive Detection and Conductance Switching

Journal of physical chemistry. C, 2018-02, Vol.122 (6), p.3245-3255

2018

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Morphometric Analysis Using SRTM-DEM and GIS of Nagar River Basin, Indo-Bangladesh Barind Tract

Journal of the Indian Society of Remote Sensing, 2020-04, Vol.48 (4), p.597-614

2020

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Flexible, transparent resistive switching device based on topological insulator Bi2Se3-organic composite

Journal of applied physics, 2018-09, Vol.124 (12)

2018

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Understanding the conductance switching of permethyloligosilanes: A theoretical approach

The Journal of chemical physics, 2015-09, Vol.143 (11), p.114314-114314

2015

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Understanding the electronic structure of CdSe quantum dot-fullerene (C60) hybrid nanostructure for photovoltaic applications

Journal of applied physics, 2014-09, Vol.116 (11)

2014

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Energetics and Electronic Structure of Encapsulated Graphene Nanoribbons in Carbon Nanotube

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-09, Vol.117 (36), p.8568-8575

2013

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Multisurface Multimode Molecular Dynamical Simulation of Naphthalene and Anthracene Radical Cations by Using Nearly Linear Scalable Time-Dependent Discrete Variable Representation Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-12, Vol.118 (49), p.11451-11470

2014

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Tuning the structural skeleton of a phenanthroline-based covalent organic framework for better electrochemical performance as a cathode material for Zn-ion batteries: a theoretical exploration

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (22), p.12644-12653

2021

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Computational Screening of Suitable Adatom to Enhance CO2 Electroreduction on Noble-Metal Based Dual-Atom Catalysts

Journal of physical chemistry. C, 2024-02, Vol.128 (6), p.2392-2405

2024

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Triazine- and Keto-Functionalized Porous Covalent Organic Framework as a Promising Anode Material for Na-Ion Batteries: A First-Principles Study

Journal of physical chemistry. C, 2020-07, Vol.124 (29), p.15870-15878

2020

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Computational Exploration on Coupling Formic Acid Production with Propylene Synthesis via Catalytic Transfer Hydrogenation: The Role of CO2 beyond Reverse Water Gas Shift Reaction

Journal of organic chemistry, 2024-09, Vol.89 (17), p.12010

2024

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Computational Exploration on Coupling Formic Acid Production with Propylene Synthesis via Catalytic Transfer Hydrogenation: The Role of CO 2 beyond Reverse Water Gas Shift Reaction

Journal of organic chemistry, 2024-09, Vol.89 (17), p.12010-12019

2024

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Unraveling the Role of Single-Atom Catalysts Immobilized onto Metal–Organic Frameworks in Selective Acetylene Hydrogenation: An Implementation of the Active Site Isolation Strategy

Journal of physical chemistry. C, 2024-05, Vol.128 (19), p.7913-7925

2024

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Pure carbon-based Schottky diode, an implication of stretched carbon nanowire

Journal of applied physics, 2013-11, Vol.114 (17)

2013

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A nitrogen-rich two dimensional covalent organic framework with multiple carbonyls as a highly efficient anchoring material for lithium-sulfur batteries

Physical chemistry chemical physics : PCCP, 2023-11, Vol.25 (44), p.3536-3542

2023

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Computational Screening of Suitable Adatom to Enhance CO 2 Electroreduction on Noble-Metal Based Dual-Atom Catalysts

Journal of physical chemistry. C, 2024-02, Vol.128 (6), p.2392-2405

2024

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Exploring the Opportunity of Missing Linker Defect-Induced Acetic Acid Synthesis over Heterometallic Fe 2 M-Based Metal–Organic Frameworks

Journal of physical chemistry. C, 2023-11, Vol.127 (45), p.22049-22059

2023

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Energetic and electronic structure of penta-graphene nanoribbons

Halide perovskite two-terminal analog memristor capable of photo-activated synaptic weight modulation for neuromorphic computing

Hot carrier relaxation dynamics of an aza-covalent organic framework during photoexcitation: An insight from ab initio quantum dynamics

Theoretical Studies on Understanding the Feasibility of Porphyrin-Sensitized Graphene Quantum Dot Solar Cell

Towards H2O catalyzed N2-fixation over TiO2 doped Run clusters (n = 5, 6): a mechanistic and kinetic approach

Doped GNR p–n Junction as High Performance NDR and Rectifying Device

Designing dithiolene and bis(iminothiolato)-based 1D metal-organic-frameworks for electrocatalytic hydrogen evolution reaction

Understanding Properties of Atoms, Molecules and Materials

Multifunctionalities of an Azine-Linked Covalent Organic Framework: From Nanoelectronics to Nitroexplosive Detection and Conductance Switching

Morphometric Analysis Using SRTM-DEM and GIS of Nagar River Basin, Indo-Bangladesh Barind Tract

Flexible, transparent resistive switching device based on topological insulator Bi2Se3-organic composite

Understanding the conductance switching of permethyloligosilanes: A theoretical approach

Understanding the electronic structure of CdSe quantum dot-fullerene (C60) hybrid nanostructure for photovoltaic applications

Energetics and Electronic Structure of Encapsulated Graphene Nanoribbons in Carbon Nanotube

Multisurface Multimode Molecular Dynamical Simulation of Naphthalene and Anthracene Radical Cations by Using Nearly Linear Scalable Time-Dependent Discrete Variable Representation Method

Tuning the structural skeleton of a phenanthroline-based covalent organic framework for better electrochemical performance as a cathode material for Zn-ion batteries: a theoretical exploration

Computational Screening of Suitable Adatom to Enhance CO2 Electroreduction on Noble-Metal Based Dual-Atom Catalysts

Triazine- and Keto-Functionalized Porous Covalent Organic Framework as a Promising Anode Material for Na-Ion Batteries: A First-Principles Study

Computational Exploration on Coupling Formic Acid Production with Propylene Synthesis via Catalytic Transfer Hydrogenation: The Role of CO2 beyond Reverse Water Gas Shift Reaction

Computational Exploration on Coupling Formic Acid Production with Propylene Synthesis via Catalytic Transfer Hydrogenation: The Role of CO 2 beyond Reverse Water Gas Shift Reaction

Unraveling the Role of Single-Atom Catalysts Immobilized onto Metal–Organic Frameworks in Selective Acetylene Hydrogenation: An Implementation of the Active Site Isolation Strategy

Pure carbon-based Schottky diode, an implication of stretched carbon nanowire

A nitrogen-rich two dimensional covalent organic framework with multiple carbonyls as a highly efficient anchoring material for lithium-sulfur batteries

Computational Screening of Suitable Adatom to Enhance CO 2 Electroreduction on Noble-Metal Based Dual-Atom Catalysts

Exploring the Opportunity of Missing Linker Defect-Induced Acetic Acid Synthesis over Heterometallic Fe 2 M-Based Metal–Organic Frameworks

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