Uv absorption inmetal decorated boron nitride flakes: A theoretical analysis of excited states

© Informa UK Limited, trading as Taylor & Francis Group. The excited states of singlemetal atom(X=Co, Al and Cu) doped boron nitride flake (MBNF) B 15 N 14 H 14 -X and pristine boron nitride (B 15 N 15 H 14 ) are studied by time-dependent density functional theory. The immediate effect of metal...

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Bibliographic Details
Main Authors: Siddheshwar Chopra, Felix Plasser
Format: Default Article
Published: 2017
Subjects:
Other chemical sciences not elsewhere classified
Boron-nitride
TDDFT
Excited state analysis
NTO
Charge transfer
Chemical Sciences not elsewhere classified
Online Access:https://hdl.handle.net/2134/32231
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https://hdl.handle.net/2134/32231

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