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

Author:

Khan Asmat Ullah1234,Khera Rasheed Ahmad1234ORCID,Anjum Naveed1234,Shehzad Rao Aqil1234,Iqbal Saleem56784,Ayub Khurshid19104ORCID,Iqbal Javed123411ORCID

Affiliation:

1. Department of Chemistry

2. University of Agriculture

3. Faisalabad-38000

4. Pakistan

5. Department of Chemical Engineering

6. Wah Engineering College

7. University of Wah

8. Wah Cantt

9. COMSATS University

10. Islamabad

11. Punjab Bio-energy Institute

Abstract

DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl4) and superalkali (NLi4) doped graphitic carbon nitride (GCN).

Funder

University of Agriculture, Faisalabad

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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