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Also known as: Abhishek Kumar Mishra, Abhishek Mishra
University of Petroleum and Energy Studies
Research areas: Materials Science · Materials Chemistry · Gas Sensing Nanomaterials and Sensors · Graphene research and applications · CO2 Reduction Techniques and Catalysts
0000-0002-6129-5653
About
Professor of Physics at UPES, Dehradun. Research expertise is in First-principles based DFT simulation of materials.
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Publications (115)
- Halogenated Ti2C MXene: A promising multifunctional 2D material for optoelectronic and thermoelectric applications — Predictions from DFT Save
- Engineering optoelectronic and thermoelectric performance of V2X (X = C, N) MXenes via surface functionalization Save
- NH3 gas sensing over 2D phosphorene sheet: A first–principles study Save
- Swift heavy ion irradiation effects on structural, surface, and optical properties of ZnSe thin films Save
- CO2 activation on pristine and defected honeycomb lattice 2D Fe2O3 monolayer: A DFT study Save
- Electrochemical conversion of CO2 to formic acid on TiVC MXenes: A computational prediction Save
- Photovoltaic Performance of Lead‐Free Na2GeBr6 Perovskite Investigated via Density Functional Theory and SCAPS‐1D Modeling Save
- First-principles study of CO2 activation on pristine and defected XO2 (X= Pd, Pt) monolayers Save
- Computational investigation of the molecular structure and spectral properties of mesoridazine Save
- DFT study of CO2 activation on pristine and vacancy-containing 2D-GeC monolayers Save
- Incipient Plasticity and Compressive Deformation Mechanism in Σ3 Coherent-Incoherent Twin Faceted Grain Boundary Save
- Nitrogen-doped rGO-supported 2D MnO2 catalysts for improved CO2 electroreduction Save
- CO2 activation on metal- and non-metal-doped goldene sheets: A DFT study Save
- Selective NO gas sensing over TiVCO2 MXene: A realistic computational prediction Save
- A Comprehensive DFT Analysis of Novel Vacancy-Ordered Double Perovskites Na2SnX6 (X = Br, I) for the Opto-electronic and Thermoelectric Properties Applications Save
- A Comprehensive Review on the Formation and Evolution of Faceted Grain Boundaries with Their Implications on Material Properties Save
- Ab-Initio based investigation of the optoelectronic, transport, mechanical properties of vacancy-ordered double perovskites A2PtI6 (A = Na, Li): An emerging class of solar cell and thermoelectric materials Save
- An investigation of the biaxial strain on structural, opto-electronic and mechanical properties of 2D GaGeTe monolayer from a theoretical perspective using DFT Save
- Atomistic-Scale Simulations on Grain Boundary Migration Mechanisms Involved in Metals and Alloys: A Critical Review Save
- Bi2WO6 gas sensors for low concentration CO sensing: Experimental and computational studies Save