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Dr. Muhammad Usman Khan
Dr. Muhammad Usman Khan
Department of Chemistry, University of Okara, Pakistan
在 uo.edu.pk 的电子邮件经过验证
标题
引用次数
引用次数
年份
First theoretical framework of triphenylamine–dicyanovinylene-based nonlinear optical dyes: structural modification of π-linkers
MU Khan, M Khalid, M Ibrahim, AAC Braga, M Safdar, AA Al-Saadi, ...
The Journal of Physical Chemistry C 122 (7), 4009-4018, 2018
2102018
Effect of π-conjugation spacer (CC) on the first hyperpolarizabilities of polymeric chain containing polyoxometalate cluster as a side-chain pendant: A DFT study
MRSA Janjua, MU Khan, B Bashir, MA Iqbal, Y Song, SAR Naqvi, ...
Computational and Theoretical Chemistry 994, 34-40, 2012
1522012
First principles study of electronic and nonlinear optical properties of A–D–π–A and D–A–D–π–A configured compounds containing novel quinoline–carbazole derivatives
M Khalid, A Ali, R Jawaria, MA Asghar, S Asim, MU Khan, R Hussain, ...
RSC advances 10 (37), 22273-22283, 2020
1402020
Designing N-phenylaniline-triazol configured donor materials with promising optoelectronic properties for high-efficiency solar cells
MY Mehboob, R Hussain, MU Khan, M Adnan, A Umar, MU Alvi, ...
Computational and Theoretical Chemistry 1186, 112908, 2020
1382020
First theoretical probe for efficient enhancement of nonlinear optical properties of quinacridone based compounds through various modifications
MU Khan, M Ibrahim, M Khalid, MS Qureshi, T Gulzar, KM Zia, ...
Chemical Physics Letters 715, 222-230, 2019
1332019
Adsorption of Phosgene Gas on Pristine and Copper-Decorated B12N12 Nanocages: A Comparative DFT Study
S Hussain, R Hussain, MY Mehboob, SAS Chatha, AI Hussain, A Umar, ...
ACS omega 5 (13), 7641-7650, 2020
1312020
Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells
MU Khan, J Iqbal, M Khalid, R Hussain, AAC Braga, M Hussain, ...
RSC advances 9 (45), 26402-26418, 2019
1262019
Prediction of second-order nonlinear optical properties of D–π–A compounds containing novel fluorene derivatives: A promising route to giant hyperpolarizabilities
MU Khan, M Ibrahim, M Khalid, AAC Braga, S Ahmed, A Sultan
Journal of Cluster Science 30, 415-430, 2019
1202019
Designing of benzodithiophene core-based small molecular acceptors for efficient non-fullerene organic solar cells
MY Mehboob, MU Khan, R Hussain, K Ayub, A Sattar, MK Ahmad, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 244, 118873, 2021
1182021
Quantum chemical designing of indolo [3, 2, 1-jk] carbazole-based dyes for highly efficient nonlinear optical properties
MU Khan, M Ibrahim, M Khalid, S Jamil, AA Al-Saadi, MRSA Janjua
Chemical Physics Letters 719, 59-66, 2019
1182019
A DFT study on the two‐dimensional second‐order nonlinear optical (NLO) response of terpyridine‐substituted hexamolybdates: physical insight on 2D inorganic–organic hybrid …
MRSA Janjua, M Amin, M Ali, B Bashir, MU Khan, MA Iqbal, W Guan, ...
European Journal of Inorganic Chemistry 2012 (4), 705-711, 2012
1162012
Molecular engineering of A–D–C–D–A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic solar cells
R Hussain, F Hassan, MU Khan, MY Mehboob, R Fatima, M Khalid, ...
Optical and Quantum Electronics 52, 1-20, 2020
1142020
Enhancement in Photovoltaic Properties of N,N‐diethylaniline based Donor Materials by Bridging Core Modifications for Efficient Solar Cells
R Hussain, MU Khan, MY Mehboob, M Khalid, J Iqbal, K Ayub, M Adnan, ...
ChemistrySelect 5 (17), 5022-5034, 2020
1112020
In silico modeling of new “Y-Series”-based near-infrared sensitive non-fullerene acceptors for efficient organic solar cells
MU Khan, R Hussain, M Yasir Mehboob, M Khalid, Z Shafiq, M Aslam, ...
ACS omega 5 (37), 24125-24137, 2020
1082020
Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of …
M Khalid, MA Ullah, M Adeel, MU Khan, MN Tahir, AAC Braga
Journal of Saudi Chemical Society 23 (5), 546-560, 2019
1072019
Theoretical and conceptual framework to design efficient dye-sensitized solar cells (DSSCs): molecular engineering by DFT method
MRSA Janjua, MU Khan, M Khalid, N Ullah, R Kalgaonkar, K Alnoaimi, ...
Journal of Cluster Science 32, 243-253, 2021
1042021
Designing of benzothiazole based non-fullerene acceptor (NFA) molecules for highly efficient organic solar cells
RA Shehzad, J Iqbal, MU Khan, R Hussain, HMA Javed, A ur Rehman, ...
Computational and Theoretical Chemistry 1181, 112833, 2020
1022020
Designing indenothiophene-based acceptor materials with efficient photovoltaic parameters for fullerene-free organic solar cells
Z Afzal, R Hussain, MU Khan, M Khalid, J Iqbal, MU Alvi, M Adnan, ...
Journal of molecular modeling 26 (6), 137, 2020
1012020
Designing spirobifullerene core based three‐dimensional cross shape acceptor materials with promising photovoltaic properties for high‐efficiency organic solar cells
MU Khan, MY Mehboob, R Hussain, Z Afzal, M Khalid, M Adnan
International Journal of Quantum Chemistry 120 (22), e26377, 2020
992020
Molecular designing of high‐performance 3D star‐shaped electron acceptors containing a truxene core for nonfullerene organic solar cells
MU Khan, MY Mehboob, R Hussain, R Fatima, MS Tahir, M Khalid, ...
Journal of Physical Organic Chemistry, e4119, 2020
992020
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