Hydrogen storage on the lithium and sodium-decorated inorganic graphenylene

NF Martins, AS Maia, JAS Laranjeira… - International Journal of …, 2024 - Elsevier
Efficient H 2 storage is one of the keys to the energy transition toward global sustainability.
Hydrogen energy sources on functionalized 2D materials by metals have been shown as …

Density Functional Theory Study of Superalkali NLi4-Decorated Graphdiyne Nanosheets as Hydrogen Storage Materials

Q Jiang, X Bai, Z Jia, S Lu, P Song… - ACS Applied Nano …, 2023 - ACS Publications
The properties and mechanism of adsorption of hydrogen molecules on NLi4-decorated
graphdiyne nanosheets (NLi4-GDY) were investigated based on the density functional …

Stability and electronic properties of XO (X= Be, Mg, Zn, Cd) biphenylene and graphenylene networks: A first-principles study

YZ Abdullahi, F Ersan - Applied Physics Letters, 2023 - pubs.aip.org
The ultrawide bandgap semiconducting property of materials is key to the development of
advanced optoelectronic nanodevices with potential applications in flexible and transparent …

Defects induced metallized boron hydride monolayers as high-performance hydrogen storage architecture

JI Jason, Y Pal, P Anees, H Lee, T Kaewmaraya… - International Journal of …, 2024 - Elsevier
Experimental synthesis of two-dimensional boron hydride monolayer (BH-ML)(J. Am. Chem.
Soc. 2017, 139, 13,761) has motivated us to explore its application in clean energy storage …

Transition metal atoms (TM= Sc, Ti, V, Cr, and Mn) decorated PBCF-graphene as a possible reversible hydrogen storage material: A DFT-D2 investigation

MH Darvishnejad, M Afshari, AHC Khavar - International Journal of …, 2024 - Elsevier
One of the most pressing concerns for hydrogen energy development is the identification of
new compounds with high capacity and effective reversibility for hydrogen storage. This …

Li-decorated B-doped biphenylene network for reversible hydrogen storage

LJ Ma, Y Sun, J Jia, HS Wu - Fuel, 2024 - Elsevier
Hydrogen energy is the mainstream alternative to fossil fuels in the future. However, finding
safe and efficient hydrogen storage materials has become a key obstacle to achieving a …

Trimetallic Zn–Co–Ni Selenide Nanoparticles as Electrocatalysts for the Hydrogen Evolution Reaction

A Kareem, H Mohanty, K Thenmozhi… - ACS Applied Nano …, 2024 - ACS Publications
The evaluation and establishment of extremely efficient non-noble metal-based
electrocatalysts for the bulk generation of hydrogen is one of the pivotal contemporary …

Stability, electronic and optical properties of buckled XO (X= Ge, Cu) graphenylene monolayers: A first-principles study

YZ Abdullahi, S Ahmad, RCY Hui - Solid State Communications, 2024 - Elsevier
The demand for sustainable semiconducting devices that can be used in various
applications necessitates the development of revolutionary materials with multifunctional …

Exploring the potential of alkali metal-decorated TPH-Graphene nanoribbons for high-efficiency hydrogen storage: A first-principles study

P Umadevi, E Vijayakumar, S Lakshmipathi - International Journal of …, 2024 - Elsevier
Abstract One-dimensional (1D) Tetra-Penta-Hepta graphene nanoribbon (TPH-GNR) is an
enticing material because of its distinctive structural and electrical characteristics. Using first …

Light-metal functionalized boron monoxide monolayers as efficient hydrogen storage material: Insights from DFT simulations

W Othman, W Alfalasi, T Hussain, N Tit - Journal of Energy Storage, 2024 - Elsevier
Exceptionally high energy density by mass, natural abundance, widespread applications,
and environmental friendliness make hydrogen (H 2) a front-runner among clean energy …