The electrochemical reduction reaction of carbon dioxide (CO 2-ERR) holds tremendous
potential as a key approach for achieving carbon neutrality by harnessing renewable …

The edges of hexagonal symmetry molybdenum disulfide (2H-MoS 2) are usually
considered as active sites for hydrogen evolution reaction (HER). However, the underlying …

In this work, a detailed investigation of the structural and electronic properties and hydrogen
evolution reaction (HER) activity of the pristine, vacancy and carbon (C) doped oB 2 N 2 …

Hydrogen has been identified as one of the most promising sustainable and clean energy.
Developing hydrogen evolution reaction (HER) catalyst with high activity is essential for …

The article reviews the current state of research of the synthesis, structural, electrophysical
and spectroscopic properties of layered transition metal dichalcogenides (TMDs) of group 4 …

Abstract Employing the Density Functional Theory investigations, we have designed 2D α-
CN with the dopants P, Si and B as catalyst for HER and OER activities. Doping of P and B …

The need for sustainable energy systems and reducing greenhouse gas emissions are key
drivers in the development of liquid hydrogen organic carriers (LOHCs). Density functional …

Hydrogen production from water electrolysis using renewable electricity is a highly
promising route to solve the energy crisis of human society. The tetragonal 3d-transition …

Tailoring the nonprecious nickel selenide heterogeneous electrocatalysts with controllable
morphology and electronic structures is of prime importance to enhance the catalytic …

Two dimensional HfS2 is a material with potential applications in the field of photo-catalysis
and advanced solid state devices. Density functional theory with the Hubbard U parameter …