2022
DOI: 10.1016/j.est.2022.105500
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Enhancement in the hydrogen storage capability of borophene through yttrium doping: A theoretical study

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Cited by 17 publications
(5 citation statements)
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“…173,174 The structural analysis shows that Y doping does not cause serious structural distortion and instability of borophene, and Y and Ti decorated borophene nano-materials can be an effective medium for hydrogen storage applications. 175,176 The catalytic activity of metal-doped borophene depends on the binding energy and dband center, which not only provides an effective and efficient strategy to screen electrochemical nitric oxide elimination, but also provides a feasible strategy for NH 3 synthesis. 177 Based on density functional theory, it is found that Ni-and Pd-doped This journal is © the Owner Societies 2024 borophene sheets display advantageous catalytic activity toward the oxygen evolution reaction (OER), while Fe-, Co-, Cu-, Ru-, Rh-, Ag-, and Pt-doped borophene sheets can exhibit high catalytic activity toward the hydrogen evolution reaction (HER).…”
Section: Doping Of Graphene (G)mentioning
confidence: 99%
“…173,174 The structural analysis shows that Y doping does not cause serious structural distortion and instability of borophene, and Y and Ti decorated borophene nano-materials can be an effective medium for hydrogen storage applications. 175,176 The catalytic activity of metal-doped borophene depends on the binding energy and dband center, which not only provides an effective and efficient strategy to screen electrochemical nitric oxide elimination, but also provides a feasible strategy for NH 3 synthesis. 177 Based on density functional theory, it is found that Ni-and Pd-doped This journal is © the Owner Societies 2024 borophene sheets display advantageous catalytic activity toward the oxygen evolution reaction (OER), while Fe-, Co-, Cu-, Ru-, Rh-, Ag-, and Pt-doped borophene sheets can exhibit high catalytic activity toward the hydrogen evolution reaction (HER).…”
Section: Doping Of Graphene (G)mentioning
confidence: 99%
“…The enormous surface area of the atomic layers and the ease with which hydrogen atoms stick to borophene's monolayer structure make it a promising material for storing hydrogen. According to theoretical research, borophene outperforms other materials in its ability to store hydrogen, being able to store almost 15% of its weight in hydrogen [51][52][53]. Baraiya and colleagues [23] utilized density functional theory (DFT)-based first-principles calculations to examine the HS capacity of nitrogen-doped and pure nitrogen-decorated borophene.…”
Section: Storage Of Hydrogenmentioning
confidence: 99%
“…There has been extensive research for finding alternate materials to overcome the above challenges for hydrogen storage. Various two-dimensional (2D) materials like graphene, TMDs, phosphorene, borophene, and h-BN have been considered potential hydrogen storage materials. However, the high weight and weak interaction with H 2 in these 2D materials restrict their use in hydrogen storage applications …”
Section: Introductionmentioning
confidence: 99%