Graphene based electrodes for hydrogen fuel cells: A comprehensive review

S Dwivedi - International Journal of Hydrogen Energy, 2022 - Elsevier
Today, the world is facing a great challenge to keep the environment as much clean and
green as possible. Hydrogen fuel cells are envisaged for greener environment minimizing …

A DFT study on the promising hydrogen storage performance of a light metal atom-decorated ZnO monolayer

S Yang, H Yin, G Lei, Z Lan, Z Wang, H Xu… - International Journal of …, 2024 - Elsevier
The potential H 2 adsorption/storage performance of the ZnO monolayer decorated with
alkaline or alkaline earth metal atoms was studied using first-principle density functional …

A reversible hydrogen storage material of Li-decorated two-dimensional (2D) C4N monolayer: First principles calculations

Y Zhang, P Liu, X Zhu, Z Liu - International Journal of Hydrogen Energy, 2021 - Elsevier
Abstract Two-dimensional (2D) materials can be regarded as potential hydrogen storage
candidates because of their splendid chemical stability and high specific surface area …

NH3 capture and detection by metal-decorated germanene: a DFT study

AN Sosa, JE Santana, Á Miranda, LA Pérez… - Journal of Materials …, 2022 - Springer
We report an investigation of the adsorption of ammonia (NH3) on pristine, alkali (Li, Na, K),
alkaline earth (Mg, Ca), and transition metal (Sc, Pd, and Ag) decorated germanene using a …

Li-decorated 2d irida-graphene as a potential hydrogen storage material: A dispersion-corrected density functional theory calculations

YF Zhang, J Guo - International Journal of Hydrogen Energy, 2024 - Elsevier
In this research, density functional theory with van der Waals (vdW) dispersion-corrected
method is employed to systematically investigate H 2 adsorption behaviors on Li-decorated …

Reversible hydrogen storage tendency of light-metal (Li/Na/K) decorated carbon nitride (C9N4) monolayer

SP Kaur, T Hussain, T Kaewmaraya… - International Journal of …, 2023 - Elsevier
The emergence of hydrogen (H 2) as a future carrier of energy and the issue related to its
storage leads to the exploration of two-dimensional materials, which have the potential to be …

Enhanced reversible hydrogen storage performance of light metal-decorated boron-doped siligene: a DFT study

BJ Cid, AN Sosa, Á Miranda, LA Pérez… - International Journal of …, 2022 - Elsevier
The use of nanomaterials for hydrogen storage could play a very important role in the large-
scale utilization of hydrogen as an energy source. However, nowadays several potential …

Empowering hydrogen storage performance of B4C3 monolayer through decoration with lithium: A DFT study

R Rahimi, M Solimannejad - Surfaces and Interfaces, 2022 - Elsevier
This paper explores the merits of a recently proposed 2D material, the B 4 C 3 monolayer,
for hydrogen storage by adsorption. The monolayer is decorated by Li to enhance …

Hydrogen storage capacity and reversibility of Li-decorated B4CN3 monolayer revealed by first-principles calculations

M Jiang, J Xu, P Munroe, ZH Xie - International Journal of Hydrogen Energy, 2022 - Elsevier
This work explored the feasibility of Li decoration on the B 4 CN 3 monolayer for hydrogen
(H 2) storage performance using first-principles calculations. The results of density functional …

Ab initio study of hydrogen storage on metal-decorated GeC monolayers

LG Arellano, F De Santiago, Á Miranda… - International Journal of …, 2021 - Elsevier
Bidimensional nanostructures have been proposed as hydrogen-storage systems owing to
their large surface-to-volume ratios. Germanium carbide monolayers (GeC-MLs) can offer …