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

DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl(4)) and superalkali (NLi(4)) doped graphitic carbon nitride (GCN). It is noted that the geometries of doped GCN are sufficiently stable. The energy gap for GCN is 3.89 and it reduces to 0.53 eV in...

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Detalles Bibliográficos
Autores principales: Khan, Asmat Ullah, Khera, Rasheed Ahmad, Anjum, Naveed, Shehzad, Rao Aqil, Iqbal, Saleem, Ayub, Khurshid, Iqbal, Javed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695095/
https://www.ncbi.nlm.nih.gov/pubmed/35423340
http://dx.doi.org/10.1039/d0ra08608h

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8695095/
https://www.ncbi.nlm.nih.gov/pubmed/35423340
http://dx.doi.org/10.1039/d0ra08608h

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