Density Functional Theory Approximations and Experimental Investigations on Co1–xMoxTe2 Alloy Electrocatalysts Tuning the Overall Water Splitting Reactions
Understanding the relationship between electronic structure, surface characteristic, and
reaction process of a catalyst helps to architect proficient electrodes for sustainable energy …
reaction process of a catalyst helps to architect proficient electrodes for sustainable energy …
Ab-initio study of Nb-based complex materials: A new class of materials for optoelectronic applications
We have studied electronic, optical and spintronic properties of Nb based complex materials
NaNdANbO 6 F (A= Ti, Zr, Co, Ni) by using density functional theory (DFT) calculations …
NaNdANbO 6 F (A= Ti, Zr, Co, Ni) by using density functional theory (DFT) calculations …
Density-functional quantum analysis of optoelectronic, elastic, thermodynamic and hydrogen storage properties of AMgH3 (A= be, ca) perovskite-type hydrides …
Hydrogen is a promising clean energy source to address the energy issue as well as the
environmental and health risks of current energy sources. Metal hydrides have …
environmental and health risks of current energy sources. Metal hydrides have …
Fabrication of High-Performance Solar Cells and X-ray Detectors Using MoX2@CNT Nanocomposite-Tuned Perovskite Layers
The interface design of inorganic and organic halide perovskite-based devices plays an
important role to attain high performance. The modification of transport layers (ETL and HTL) …
important role to attain high performance. The modification of transport layers (ETL and HTL) …
A First-Principles Investigation on the Structural, Optoelectronic, and Thermoelectric Properties of Pyrochlore Oxides (La2Tm2O7 (Tm = Hf, Zr)) for Energy …
A first-principles calculation based on DFT investigations on the structural, optoelectronic,
and thermoelectric characteristics of the newly designed pyrochlore oxides La2Tm2O7 (Tm …
and thermoelectric characteristics of the newly designed pyrochlore oxides La2Tm2O7 (Tm …
First principles study to investigate structural, optical properties and bandgap engineering of XSnI3(X=Rb, K, Tl, Cs) materials for solar cell applications
Abstract The PBE-GGA (Perdew Burke-Ernzerhof Generalized Gradient Approximation) for
the exchange-correlation potentials, based on first-principles density functional theory (DFT) …
the exchange-correlation potentials, based on first-principles density functional theory (DFT) …
Shedding light on the structural, optoelectronic, and thermoelectric properties of pyrochlore oxides (La2Q2O7 (Q= Ge, Sn)) for energy applications: A first-principles …
This paper presents an analysis of the electronic, optical, and thermoelectric properties of
two newly designed pyrochlore oxides, La 2 Q 2 O 7 (Q= Ge, Sn), based on first …
two newly designed pyrochlore oxides, La 2 Q 2 O 7 (Q= Ge, Sn), based on first …
First-principles calculations to investigate structural, electronic, optical, elastic and thermodynamic properties of Yb3Q5 (Q= Ge, Si) for energy applications
From the first-principles DFT calculations, we explore the optoelectronic and thermoelectric
properties of Yb 3 Q 5 (Q= Ge, Si). The ground state properties of crystalline materials can …
properties of Yb 3 Q 5 (Q= Ge, Si). The ground state properties of crystalline materials can …
[HTML][HTML] Effect of ambient environment and magnetic field on laser-induced cobalt plasma
Plasma parameters of magnetically confined Cobalt (Co) plasma have been evaluated by
using laser-induced breakdown spectroscopy at various laser irradiances, under different …
using laser-induced breakdown spectroscopy at various laser irradiances, under different …
Investigating the structural, electronic, optical and thermodynamic properties of ATiO3 (A= Ba, Ca, Ra) for low-cost energy applications
The structural, optoelectronic, and thermodynamic characteristics of ATiO 3 (A= Ba, Ca, Ra)
perovskites have comprehensively been investigation first-principles based DFT …
perovskites have comprehensively been investigation first-principles based DFT …