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Browsing WOS İndeksli Yayınlar Koleksiyonu / WOS Indexed Publications Collection by Author "Ayub, Khurshid"

Browsing WOS İndeksli Yayınlar Koleksiyonu / WOS Indexed Publications Collection by Author "Ayub, Khurshid"

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  • DFT study of transition metals doped calix-4-pyrrole with excellent electronic and non-linear optical properties 
    Asif, Areeba; Maqsood, Nimra; Tamam, Nissren; Ayub, Khurshid; Ans, Muhammad; Iqbal, Javed; Al-Buriahi, M. S.; Alomairy, Sultan; Alrowaili, Z. A. (2022)
    Herein a detailed comparative study on the transition metal doped calix-4-pyrrole was carried out to determine the optical, electronic, and non-linear optical (NLO) properties, as well as to synthesize some thermodynamically ...
  • Enhanced non-linear optical response of alkali metal-doped nitrogenated holey graphene (C2N) 
    Akram, Wisha; Nadeem, Emaan; Ayub, Khurshid; Iqbal, Javed; Al-Buriahi, M. S.; Alomairy, Sultan; Katubi, Khadijah Mohammedsaleh; Ibraheem, Awad A. (2022)
    In the quest of better non-linear optical (NLO) materials, a DFT method is employed on alkali metals doped C2N to investigate the optoelectronic characteristics. To understand the optoelectronic properties the charge ...
  • 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 ...