Pranab K. Sarkar

35, Ballygunge Circular Road
Kolkata, WB 700019, India

Last Updated: 09/26/2026

Save publications for later

Sign Up

Not sure about your diagnosis?

Check Your Symptoms

Found 71 publications

MOFs, COFs and beyond: a theoretical perspective on the electrocatalytic activities of 2D materials toward sustainable energy conversion.

MOFs, COFs and beyond: a theoretical perspective on the electrocatalytic activities of 2D materials toward sustainable energy conversion.

Journal: Chemical communications (Cambridge, England)

Published: August 13, 2026

Quantum simulation of carrier dynamics in nanographene-fused carbaporphyrin tweezers@C60 heterojunctions: role of dihedral-angle engineering.

Quantum simulation of carrier dynamics in nanographene-fused carbaporphyrin tweezers@C60 heterojunctions: role of dihedral-angle engineering.

Journal: Nanoscale

Published: March 18, 2026

Statistical variability analysis of resistive switching in lead-free double perovskite flexible memristors.

Statistical variability analysis of resistive switching in lead-free double perovskite flexible memristors.

Journal: Nanoscale

Published: February 17, 2026

Unveiling the photocatalytic water splitting over metal-free g-CN/γ-BNyne heterostructures using non-adiabatic molecular dynamics.

Unveiling the photocatalytic water splitting over metal-free g-CN/γ-BNyne heterostructures using non-adiabatic molecular dynamics.

Journal: Physical chemistry chemical physics : PCCP

Published: September 02, 2025

Vacancy Defect-Assisted Enhanced Nitrogen Fixation in Metal-Free 2D Orthorhombic Boron Nitride: Insights from Nonadiabatic Molecular Dynamics Simulations.

Vacancy Defect-Assisted Enhanced Nitrogen Fixation in Metal-Free 2D Orthorhombic Boron Nitride: Insights from Nonadiabatic Molecular Dynamics Simulations.

Journal: The journal of physical chemistry letters

Published: August 06, 2025

Investigating the Role of UiO-68 Supported N-Heterocyclic Carbene-Based Metal-Hydrides for CO Hydrogenation to Methanol.

Investigating the Role of UiO-68 Supported N-Heterocyclic Carbene-Based Metal-Hydrides for CO Hydrogenation to Methanol.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry

Published: July 19, 2025

Computational Investigation of Radical- and Catalyst-Assisted Decomposition of CH2NO• to HCN.

Computational Investigation of Radical- and Catalyst-Assisted Decomposition of CH2NO• to HCN.

Journal: ChemPlusChem

Published: April 28, 2025

Accelerating Molecular Dynamics with a Graph Neural Network: A Scalable Approach through E(q)C-GNN.

Accelerating Molecular Dynamics with a Graph Neural Network: A Scalable Approach through E(q)C-GNN.

Journal: The journal of physical chemistry letters

Published: February 22, 2025

The role of defect-modulated HKUST-1 MOF nodes in non-oxidative ethanol dehydrogenation: an observed phenomenon of catalyst transfiguration.

The role of defect-modulated HKUST-1 MOF nodes in non-oxidative ethanol dehydrogenation: an observed phenomenon of catalyst transfiguration.

Journal: Dalton transactions (Cambridge, England : 2003)

Published: February 17, 2025

Understanding asymmetric hydrogenation of alkenes catalyzed by the first-row transition metal Fe: a first-principles exploration.

Understanding asymmetric hydrogenation of alkenes catalyzed by the first-row transition metal Fe: a first-principles exploration.

Journal: Physical chemistry chemical physics : PCCP

Published: December 17, 2024

Controlling the Charge Carrier Dynamics of o-B2N2 Monolayer through Pnictogen Family Atoms Doping.

Controlling the Charge Carrier Dynamics of o-B2N2 Monolayer through Pnictogen Family Atoms Doping.

Journal: The journal of physical chemistry letters

Published: September 06, 2024

Emergence of Z-Scheme Photocatalysis for Total Water Splitting: An Improvised Route to High Efficiency.

Emergence of Z-Scheme Photocatalysis for Total Water Splitting: An Improvised Route to High Efficiency.

Journal: The journal of physical chemistry letters

Published: June 25, 2024

Showing 1-12 of 71

Last Updated: 09/26/2026