Hydrogenated boron phosphide with the excellent tunability of electronic properties and Current-Voltage responses
Sign Up to like & getrecommendations! Published in 2022 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.151196
Abstract: Abstract Combining the first principles calculations and the non-equilibrium Green’s function formalisms, we decipher the structural, electronic, and transport properties of boron phosphide (BP) with hydrogenation. Hydrogenated BP monolayer is an indirect semiconductor with a… read more here.
Keywords: boron phosphide; excellent tunability; phosphide excellent; electronic properties ... See more keywords
Model creation and electronic structure calculation of amorphous hydrogenated boron carbide: a classical/ab initio hybrid approach
Sign Up to like & getrecommendations! Published in 2017 at "RSC Advances"
DOI: 10.1039/c7ra06988j
Abstract: Amorphous hydrogenated boron carbide (a-BC:H), grown by plasma enhanced chemical vapor deposition of orthocarborane precursors, is an amorphous molecular solid with strong short range order, no long range order, and unknown medium range order. Determination… read more here.
Keywords: electronic structure; structure; hydrogenated boron; approach ... See more keywords
Electronic Structures of Polymorphic Layers of Borophane
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27061808
Abstract: The search for free-standing 2D materials has been one of the most important subjects in the field of studies on 2D materials and their applications. Recently, a free-standing monolayer of hydrogenated boron (HB) sheet has… read more here.
Keywords: electronic structures; layers borophane; boron sheets; hydrogenated boron ... See more keywords
Prediction of a Cyclic Hydrogenated Boron Molecule as a Promising Building Block for Borophane
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28031225
Abstract: We have extensively searched for a cyclic hydrogenated boron molecule that has a three-center two-electron bond at the center. Using first-principles calculations, we discovered a stable molecule of 2:4:6:8:-2H-1,5:1,5-μH-B8H10 and propose its existence. This molecule… read more here.
Keywords: boron molecule; hydrogenated boron; molecule; cyclic hydrogenated ... See more keywords