Search Results - "Khera, Rasheed Ahmad"

Tuning the optoelectronic properties of scaffolds by using variable central core unit and their photovoltaic applications by Rafiq, Mahira, Ahmad Khera, Rasheed, Salim, Maham, Khalid, Muhammad, Ayub, Khurshid, Iqbal, Javed

“…[Display omitted] •Four scaffolds containing 3,4,5-triflourophenyl end cap groups have been designed using highly potent donor moieties.•The modified donor…”
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End-capped modification of dithienosilole based small donor molecules for high performance organic solar cells using DFT approach by Rafiq, Mahira, Salim, Maham, Noreen, Safia, Ahmad Khera, Rasheed, Noor, Sadia, Yaqoob, Umer, Iqbal, Javed

“…•The designed molecules exhibit excellent photovoltaic characteristics.•All the designed molecules exhibit higher dipole moment.•Designed molecule SM2 and SM1…”
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Suzuki–Miyaura reactions of N-protected tribromopyrazoles. Efficient and site-selective synthesis of 3,4,5-triaryl-pyrazoles, 3,5-diaryl-4-bromopyrazoles and 5-aryl-3,4-dibromopyrazoles by Khera, Rasheed Ahmad, Ali, Asad, Rafique, Hummera, Hussain, Munawar, Tatar, Jovana, Saeed, Aamer, Villinger, Alexander, Langer, Peter

“…Suzuki–Miyaura reactions of N-protected tribromopyrazoles were studied. The reactions proceed with excellent site-selectivity. The first attack occurs at…”
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Triphenylamine based donor-acceptor-donor type small molecules for organic solar cells by Bibi, Sadaf, Ahmad Khera, Rasheed, Farhat, Afifa, Iqbal, Javed

“…We have designed four new D-A-D combinations are designed molecules named as F1-F4 containing central units…”
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Biological transformations of steroidal compounds: A review by Bhatti, Haq Nawaz, Khera, Rasheed Ahmad

“…► Microbial transformation is an important tool for structural modification of compounds. ► Steroidal compounds are responsible for important biological…”
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DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties by Khan, Asmat Ullah, Khera, Rasheed Ahmad, Anjum, Naveed, Shehzad, Rao Aqil, Iqbal, Saleem, Ayub, Khurshid, Iqbal, Javed

“…DFT calculations are carried out to investigate nonlinear optical (NLO) properties of superhalogen (BCl 4 ) and superalkali (NLi 4 ) doped graphitic carbon…”
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Enhancement in non-linear optical properties of carbon nitride (C2N) by doping superalkali (Li3O): A DFT study by Ishfaq, Talha, Ahmad Khera, Rasheed, Zahid, Saba, Yaqoob, Umer, Aqil Shehzad, Rao, Ayub, Khurshid, Iqbal, Javed

“…[Display omitted] •Two complexes (M2 and M3) have been designed for non-linear optical (NLO) applications by doping C2N with Li3O.•Researched complexes have…”
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Designing of symmetrical A-D-A type non-fullerene acceptors by side-chain engineering of an indacenodithienothiophene (IDTT) core based molecule: A computational approach by Waqas, Muhammad, Hadia, N.M.A., Hessien, M.M., Javaid Akram, Sahar, Shawky, Ahmed M., Iqbal, Javed, Ibrahim, Mahmoud A.A., Ahmad Khera, Rasheed

“…[Display omitted] •Four new molecules (ITC-M1, ITC-M2, ITC-M3 and ITC-M4) were designed for improving the efficiency of pre-existed ITC-2Cl molecule by end cap…”
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Synergistic end-capped engineering on non-fused thiophene ring-based acceptors to enhance the photovoltaic properties of organic solar cells by Rashid, Ehsan Ullah, Iqbal, Javed, Khan, Muhammad Imran, El-Badry, Yaser A, Ayub, Khurshid, Khera, Rasheed Ahmad

“…In this study, a series of non-fused thiophene ring-based small molecular acceptors ( 4T1-4T7 ) of A-D-A type are developed by the replacement of the…”
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Sensing Potential of Carbon Nitride (C6N8) for the Detection of Hydrogen Sulfide (H2S) and Nitrogen Trichloride (NCl3): A DFT approach by Tariq, Farwa, Malik, Yumna, Naseem, Nisa, Zahid, Waqar Ali, Younis, Adnan, Khera, Rasheed Ahmad, Ayub, Khurshid, Iqbal, Javed

“…Carbon nitride (C 6 N 8 ) is a unique two-dimensional porous material with remarkable electronic and chemical properties. In this study, we explored the…”
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Engineering of A2-D-A1-D-A2 type BT-dIDT based non-fullerene acceptors for effective organic solar cells by Tajammal, Ayesha, Ans, Muhammad, Farhat Mehmood, Rana, Iqbal, Javed, Javaid Akram, Sahar, Murtaza, Arifa, Ahmad Khera, Rasheed

“…[Display omitted] •Four linear fused-rings small NFA’s of A2-D-A1-D-A2 types have been designed by employing the various acceptor groups on terminal site of…”
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Designing dibenzosilole core based, A2–π–A1–π–D–π–A1–π–A2 type donor molecules for promising photovoltaic parameters in organic photovoltaic cells by Rani, Saima, Al-Zaqri, Nabil, Iqbal, Javed, Sahar Javaid Akram, Boshaala, Ahmed, Rana, Farhat Mehmood, Saeed, Muhammad Umar, Rashid, Ehsan Ullah, Rasheed Ahmad Khera

“…In this research work, four new molecules from the π–A–π–D–π–A–π type reference molecule “DBS-2PP”, were designed for their potential application in organic…”
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Depicting the role of end-capped acceptors to amplify the photovoltaic properties of benzothiadiazole core-based molecules for high-performance organic solar cell applications by Ullah Rashid, Ehsan, Iqbal, Javed, Farhat Mehmood, Rana, El-Badry, Yaser A., Javaid Akram, Sahar, Ahmad Khera, Rasheed

“…The results illustrate the efficient contribution of all the investigated molecules toward the bathochromic shift of the UV–visible absorption. All the…”
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End-group modification of terminal acceptors on benzothiadiazole-based BT2F-IC4F molecule to establish efficient organic solar cells by Waqas, Muhammad, Hadia, N.M.A., Hessien, M.M., Iqbal, Javed, Mersal, Gaber A.M., Hameed, Shanza, Shawky, Ahmed M., Aloui, Zouhaier, Ibrahim, Mahmoud A.A., Ahmad Khera, Rasheed

“…•BT2F-U7 molecule shows maximum absorption in UV–visible region in both phases.•Newly designed have reduced band gap and enhanced…”
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Effect of tailoring π-linkers with extended conjugation on the SJ-IC molecule for achieving high VOC and improved charge mobility towards enhanced photovoltaic applications by Hira Zubair, Rana Farhat Mahmood, Muhammad Waqas, Ishtiaq, Mariam, Iqbal, Javed, Ibrahim, Mahmoud A A, Sayed, Shaban R M, Noor, Sadia, Rasheed Ahmad Khera

“…The problem of low efficiency of organic solar cells can be solved by improving the charge mobility and open circuit voltage of these cells. The current…”
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Impact of various heterocyclic π-linkers and their substitution position on the opto-electronic attributes of the A-π-D-π-A type IECIO-4F molecule: a comparative analysis by Akram, Sahar Javaid, Hadia, N. M. A, Iqbal, Javed, Mehmood, Rana Farhat, Iqbal, Saleem, Shawky, Ahmed M, Asif, Areeba, Somaily, H. H, Raheel, Muhammad, Khera, Rasheed Ahmad

“…To investigate the consequence of different substitution positions of various π-linkers on the photovoltaic properties of an organic solar cell molecule, we…”
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Theoretical framework for achieving high Voc in non-fused non-fullerene terthiophene-based end-capped modified derivatives for potential applications in organic photovoltaics by Muhammad Waqas, Hadia, N M A, Shawky, Ahmed M, Rana Farhat Mahmood, Essid, Manel, Aloui, Zouhaier, Alatawi, Naifa S, Iqbal, Javed, Rasheed Ahmad Khera

“…Non-fused ring-based OSCs are an excellent choice, which is attributed to their low cost and flexibility in applications. However, developing efficient and…”
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Theoretical investigation of substituted end groups in thiophene‐phenyl‐thiophene (TPT) derivatives for high efficiency organic solar cells by Sadiq, Sonia, Khera, Rasheed Ahmad, Tawfeek, Ahmed M., Ibrahim, Mahmoud A. A., Abbas, Faheem, Ali, Sajjad, Mahal, Ahmed, Meitao, Duan, Waqas, Muhammad

“…The field of organic solar cells has witnessed notable advancements in the past few years, mostly due to the development of novel materials for the active…”
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Tuning of a A–A–D–A–A-Type Small Molecule with Benzodithiophene as a Central Core with Efficient Photovoltaic Properties for Organic Solar Cells by Azeem, Urwah, Khera, Rasheed Ahmad, Naveed, Ayesha, Imran, Muhammad, Assiri, Mohammed A, Khalid, Muhammad, Iqbal, Javed

“…With the aim of upgrading the power conversion efficiency of organic solar cells (OSCs), four novel non-fullerene, A1–A2–D–A2–A1-type small molecules were…”
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Novel A-π-D-π-A type non-fullerene acceptors of dithienyl diketopyrropopyrrole derivatives to enhance organic photovoltaic applications: a DFT study by Rani, Mafia, Hadia, N. M. A, Shawky, Ahmed M, Mehmood, Rana Farhat, Hameed, Shanza, Zahid, Saba, Iqbal, Javed, Alatawi, Naifa S, Ahmed, Asma, Khera, Rasheed Ahmad

“…To boost the photovoltaic attributes of organic photovoltaic cells, seven dithienyl diketopyrropopyrrole (TDPP) donor-based A-π-D-π-A…”
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