Furtherance of the material-based hydrogen storage based on theory and experiments
The repercussions of the burning of fossil fuels on the global air quality index need to be
countered with implementable green alternatives such as the hydrogen economy. High …
countered with implementable green alternatives such as the hydrogen economy. High …
Properties, synthesis, and recent advancement in photocatalytic applications of graphdiyne: A review
P Shandilya, P Mandyal, V Kumar… - Separation and Purification …, 2022 - Elsevier
Carbon materials are inexpensive and high‐performance nanomaterials producing ample
scope for versatile applications. Graphdiyne (GDY) is a two-dimensional allotrope of carbon …
scope for versatile applications. Graphdiyne (GDY) is a two-dimensional allotrope of carbon …
Remarkable improvement in hydrogen storage capacities of two-dimensional carbon nitride (g-C3N4) nanosheets under selected transition metal doping
We have performed DFT simulations to quest for an optimal material for onboard hydrogen
(H 2) storage applications. Using first-principles calculations, we established that the …
(H 2) storage applications. Using first-principles calculations, we established that the …
Selective decoration of nitrogenated holey graphene (C2N) with titanium clusters for enhanced hydrogen storage application
For an envisioned hydrogen (H 2) economy, the design of new multifunctional two-
dimensional (2D) materials have been a subject of intense research for the last several …
dimensional (2D) materials have been a subject of intense research for the last several …
Enhancement in hydrogen storage capacities of light metal functionalized Boron–Graphdiyne nanosheets
The recent experimental synthesis of the two-dimensional (2D) boron-graphdiyne (BGDY)
nanosheet has motivated us to investigate its structural, electronic, and energy storage …
nanosheet has motivated us to investigate its structural, electronic, and energy storage …
Sensing of volatile organic compounds on two-dimensional nitrogenated holey graphene, graphdiyne, and their heterostructure
Gas-sensing properties of nitrogenated holey graphene (C 2 N), graphdiyne (GDY) and their
van der Waals heterostructure (C 2 N… GDY) have been studied towards particular volatile …
van der Waals heterostructure (C 2 N… GDY) have been studied towards particular volatile …
An investigation of Li-decorated N-doped penta-graphene for hydrogen storage
J Hao, F Wei, X Zhang, L Li, C Chen, G Wu… - International Journal of …, 2021 - Elsevier
By making use of first principles calculations, lithium-decorated (Li-decorated) and nitrogen-
doped (N-doped) penta-graphene (PG) was investigated as a potential material for …
doped (N-doped) penta-graphene (PG) was investigated as a potential material for …
Hydrogen storage capacity and reversibility of Li-decorated B4CN3 monolayer revealed by first-principles calculations
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 …
(H 2) storage performance using first-principles calculations. The results of density functional …
Graphdiyne (CnH2n-2) as an “electron transfer bridge” boosting photocatalytic hydrogen evolution over Zn0.5Co0.5S/MoS2 S-scheme heterojunction
M Li, JZ Wang, ZL Jin - Rare Metals, 2024 - Springer
In the process of photocatalytic water cracking, the migration rate and utilization rate of
photogenerated charges determine the hydrogen evolution performance of the catalyst. In …
photogenerated charges determine the hydrogen evolution performance of the catalyst. In …
High-capacity reversible hydrogen storage properties of metal-decorated nitrogenated holey graphenes
Motivated by the need for an effective way of storing hydrogen (H 2), a promising energy
carrier, we have performed density functional theory (DFT) calculations with different van der …
carrier, we have performed density functional theory (DFT) calculations with different van der …