Concepedia

Structural, mechanical, electronic and optical properties of biphenylene hydrogenation: a first-principles study

Kai Chen, Jian Zhou, Wuyan Zhao, Riyi Yang, Chong Qiao, Wan-Sheng Su, Yu-Xiang Zheng, Rongjun Zhang, Liang‐Yao Chen, Songyou Wang

Physical Chemistry Chemical Physics · 2023 · 10 citations · 41 references

DOI

Concepts

Abstract

are more stable. Our findings demonstrate that the hydrogenated biphenylene is a promising material with significant application potential in optoelectronic devices.

References

41

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

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The rise of graphene

A. K. Geǐm, Kostya S. Novoselov · Nature Materials · 2007 · 39.5K citations

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