Opto-Electronic properties of Quasi-Planar boron clusters – A DFT investigation

Chemical Physics Letters（2022）

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Abstract

•Quasi planar Boron clusters are not photon absorbing material.•Functionalization of Boron cluster causes buckling effect.•Quasi planar boron clusters are potential transparent charge transporting materials.

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Key words

Quasi-planar boron clusters,DFT,Photovoltaics,Monte-Carlo simulation,Charge transport

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