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Browsing by Author "Zahid, Saba/0000-0002-9835-6317"

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Environmentally compatible and highly improved hole transport materials (HTMs) based on benzotrithiophene (BTT) skeleton for perovskite as well as narrow bandgap donors for organic solar cells

Zahid, Saba; Rasool, Alvina; Ans, Muhammad; Akhter, Mohammed Salim; Iqbal, Javed; Al-Buriahi, M. S.; Alomairy, Sultan; Alrowaili, Z. A. (2022)

This research project centralized modeling and DFT analysis of reference (BTTR) and intended chromophores (BTTM1-BTTM5) based on benzotrithiophene (BTT) core to render them as economic competitors for solar cells. Substantial ...
Remarkable non-linear optical properties of gold cluster doped graphyne (GY): A DFT study

Rasool, Alvina; Zahid, Saba; Alfryyan, Nada; Ayub, Ali Raza; Ayub, Khurshid; Akhter, Mohammed Salim; Iqbal, Javed; Al-Buriahi, M. S.; Yousef, El Sayed (2022)

The nonlinear optical (NLO) properties of gold (Au) doped graphyne (GY) complexes are the subject of this quantum mechanical investigation. Detailed profiling of GY@Aucenter, GY@Auside, GY@2Auabove, GY@2Auperpendicular, ...
Silver cluster doped graphyne (GY) with outstanding non-linear optical properties

Zahid, Saba; Rasool, Alvina; Ayub, Ali Raza; Ayub, Khurshid; Iqbal, Javed; Al-Buriahi, M. S.; Alwadai, Norah; Somaily, H. H. (ROYAL SOC CHEMISTRY, 2022)

This research study addresses the computational simulations of optical and nonlinear optical (NLO) characteristics of silver (Ag) cluster doped graphyne (GY) complexes. By precisely following DFT and TD-DFT hypothetical ...