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DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

2021; Royal Society of Chemistry; Volume: 11; Issue: 14 Linguagem: Inglês

10.1039/d0ra08608h

ISSN

2046-2069

Autores

Asmat Ullah Khan, Rasheed Ahmad Khera, Naveed Anjum, Rao Aqil Shehzad, Saleem Iqbal, Khurshid Ayub, Javed Iqbal,

Tópico(s)

Boron and Carbon Nanomaterials Research

Resumo

DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl 4 ) and superalkali (NLi 4 ) doped graphitic carbon nitride (GCN).

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