Nirpendra Singh
Research areas: Materials Science · Materials Chemistry · 2D Materials and Applications · Advanced Thermoelectric Materials and Devices · Topological Materials and Phenomena
0000-0001-8043-0403
About
Dr. Nirpendra Singh is an Associate Professor of Physics at Khalifa University, with expertise in computational physics and materials science. His research focuses on multi-scale modeling of multifunctional materials using density functional theory, molecular dynamics simulations, and machine learning. He has contributed significantly to the development of two-dimensional materials for thermoelectricity, energy storage, and valley physics. He has published over 140 peer-reviewed articles in esteemed journals such as Advanced Materials, Advanced Functional Materials, and Nano Energy.
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Publications (129)
- A zero-waste route to electrochemical biosensors via Cu(OH)2 growth on recycled copper foils from spent Li-ion batteries Save
- Beyond Initial Adsorption: Solvated First‐Hydrogenation Kinetics Govern Potential‐Dependent NRR–HER Selectivity on Dual‐Atom Catalysts Save
- Next‐Generation Carbon‐Based Anodes for Alkali Metal‐Ion Batteries: Recent Progress on Biphenylene and Emerging Materials Save
- High-throughput computational screening of two-dimensional metal organic framework as promising catalysts for electrochemical nitric oxide reduction Save
- Computationally guided design of graphene-like 2D-membranes for selective proton transport in hydrogen fuel cells Save
- Atomically Dispersed Transition Metals on Holey Graphyne as an Efficient Electrocatalyst for Nitrogen Reduction Reactions Save
- Gallium Vanadium Oxide‐Based Free‐Standing Versatile Electrode for Next‐Generation Lithium and Sodium Energy Storage: Combined Experimental and First‐Principles Insights into Electrochemical Performance Save
- Machine Learning−Accelerated Discovery of Proton-Conducting 2D Materials for Proton Exchange Membranes Save
- Computational discovery of layered Sc-based MOenes (Sc2OX2, X = Cl, Br, I): Insights into the electronic and thermal transport properties Save
- Kramers nodal lines and disorder-driven 2D Kramers–Weyl fermions in transition metal dichalcogenides monolayers Save
- Symmetry-protected phonon topology and low lattice thermal conductivity in square–octagonal chalcogenides Save
- Insights into Proton Permeation Mechanism in Graphene and Graphene Oxide for PEM Fuel Cells Save
- Structural Engineering of Nitrogen-Doped Reduced Graphene Oxide for High-Performance Lithium-Ion Batteries: An Experimental and Theoretical Study Save
- Mechanisms and design principles for optimizing lattice thermal conductivity in chalcogenides: A comprehensive review Save
- Ultralow Lattice Thermal Conductivity and Colossal Thermoelectric Figure of Merit of the Room-Temperature Antiferromagnet CsMnBi Save
- Unlocking colossal storage capacity and energy density of two-dimensional biphenylene oxide for Li-, Na-, and K-ion batteries Save
- Heteronuclear transition metal decorated C2N monolayer: Promising catalysts for nitrogen reduction reactions Save
- Strong correlations and disorder driven metal to insulator transition in high entropy (MoVNbW)S2 monolayer Save
- Ultra low lattice thermal conductivity and exceptional thermoelectric conversion efficiency in rippled MoS2 Save
- Efficient CO2 Reduction Reaction on Cu-Decorated Biphenylene Save