Publikačná činnosť

Mgr. Mumtaz Manzoor

Publikácie za rok 2024

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Publikácie

  • DIXIT, Aparna - ABRAHAM, Jisha Annie - MANZOOR, Mumtaz - ALTAF, Mohammad - KUMAR, Yedluri Anil - SHARMA, Ramesh. A comprehensive DFT analysis of the physical, optoelectronic and thermoelectric attributes of Ba2lnNbO6 double perovskites for eco-friendly technologies. In Materials Science and Engineering B - Solid-State Materials for Advanced Technology, 2024, vol. 307, no. 11, art. no. 117530. (2023: 3.9 - IF, Q2 - JCR, 0.647 - SJR, Q2 - SJR). ISSN 0921-5107. Dostupné na: https://doi.org/10.1016/j.mseb.2024.117530 (VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER. APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla) Typ: ADCA
  • DIXIT, Aparna - AHMED, Inas A. - ABRAHAM, Jisha Annie - EL-BAHY, Zeinhom M. - MANZOOR, Mumtaz - DAR, Sajad Ahmad - SHARMA, Ramesh. Optoelectronic and thermoelectric properties of spinel chalcogenides HgLa2X4 (X¼S and Se): A first-principles study. In Journal of rare earths, 2024, vol. 42, no. 10, p. 1927-1936. (2023: 5.2 - IF, Q1 - JCR, 0.881 - SJR, Q1 - SJR). ISSN 1002-0721. Dostupné na: https://doi.org/10.1016/j.jre.2023.11.014 Typ: ADMA
  • HASSAN, Haseebul - ROMMAN, Ume - IQBAL, M. Waqas - AFZAL, Amir Muhammad - YASEEN, Tahmina - SUNNY, Muhammad Arslan - MOHAMMAD, Saikh - ALOTAIBI, Nouf H. - MANZOOR, Mumtaz. “Synergistic hybridization of Mn-MOF@rGO and Ti3C2 for high-performance supercapattery devices and hydrogen evolution reaction”. In Materials Chemistry and Physics, 2024, vol. 327, no. 12, art. no. 129914. (2023: 4.3 - IF, Q2 - JCR, 0.769 - SJR, Q1 - SJR). ISSN 0254-0584. Dostupné na: https://doi.org/10.1016/j.matchemphys.2024.129914 Typ: ADCA
  • HUANG, Yongda - MANZOOR, Mumtaz - BRNDIAR, Ján - MILIVOJEVIĆ, Marko - ŠTICH, Ivan**. Straintronics with single-layer MoS2: A quantum Monte Carlo study. In Physical Review Research, 2024, vol. 6, no. 1, art. no. 013007. (2023: 3.5 - IF, Q1 - JCR, 1.689 - SJR, Q1 - SJR). ISSN 2643-1564. Dostupné na: https://doi.org/10.1103/PhysRevResearch.6.013007 (APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla. VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER) Typ: ADMA
    Citácie:
    [1.1] DEFO, Rodrick Kuate - RICHARDSON, Steven L. Investigating the initialization and readout of relative populations of NVSUP-/SUP and NVSUP0/SUP defects in diamond. In JOURNAL OF APPLIED PHYSICS, 2024, vol. 135, no. 24, pp. ISSN 0021-8979. Dostupné na: https://doi.org/10.1063/5.0205476, Registrované v: WOS
    [1.1] SHIN, Hyeondeok - GASPERICH, Kevin - ROJAS, Tomas - NGO, Anh T. - KROGEL, Jaron T. - BENALI, Anouar. Systematic Improvement of Quantum Monte Carlo Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gap Prediction. In JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024, vol., no., pp. ISSN 1549-9618. Dostupné na: https://doi.org/10.1021/acs.jctc.4c00335, Registrované v: WOS
  • IQBAL, M. Waqas - TEHSEEN, Arzoo - MANZOOR, Mumtaz - ASGHAR, Mazia - SADIQUE, Iqra - WABAIDUR, Saikh Mohammad - TAWFEEK, Ahmed M. - IBAD-UR-REHMAN - ASLAM, Muhammad. Predicting the electronic, optical, and thermometric properties of novel K2LiSbX6 (X = Cl, Br, I) semiconductors: A first-principles study. In Computational and Theoretical Chemistry, 2024, vol. 1238, no. 11, art. no. 114736. (2023: 3 - IF, Q3 - JCR, 0.405 - SJR, Q2 - SJR). ISSN 2210-271X. Dostupné na: https://doi.org/10.1016/j.comptc.2024.114736 (APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla. VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER) Typ: ADCA
  • JAMIL, Muhammad - MANZOOR, Mumtaz** - KUMAR, Abhinav - AGRAWAL, Ashish - ALMEER, Rafa - KUMAR, Yedluri Anil - SHARMA, Ramesh. A DFT theoretical prediction of new half-metallic ferromagnetism, mechanical stability, optoelectronic and thermoelectric properties of ZnCrO3 perovskites for spintronic applications. In Solid State Communications, 2024, vol. 394, no. 11, art. no. 115702. (2023: 2.1 - IF, Q3 - JCR, 0.414 - SJR, Q2 - SJR). ISSN 0038-1098. Dostupné na: https://doi.org/10.1016/j.ssc.2024.115702 Typ: ADCA
  • KHERA, Ejaz Ahmad - NAZIR, Abrar - MANZOOR, Mumtaz - AYUB, Muzna - HUSSAIN, Fayyaz - AL-ASBAHI, Bandar Ali - SHARMA, Ramesh. First principles exploration of structural stability, optoelectronic and thermoelectric properties of BaXO3 (X = Hf, Ti, V) for solar cell applications. In Materials Today Communications, 2024, vol. 39, no. 10, art. no. 108629. (2023: 3.7 - IF, Q2 - JCR, 0.671 - SJR, Q2 - SJR). ISSN 2352-4928. Dostupné na: https://doi.org/10.1016/j.mtcomm.2024.108629 Typ: ADCA
  • KUMARI, Anjali - ABRAHAM, Jisha Annie - MANZOOR, Mumtaz - MISHRA, Abhishek Kumar - GHFAR, Ayman A. - KUMAR, Yedluri Anil - SHARMA, Ramesh. Exploring the physical properties of novel double perovskites A2InAsO6 (A= Sr, Ba) for renewable energy applications: Ab-initio calculations. In Solid State Communications, 2024, vol. 392, no. 11, art. no. 115654. (2023: 2.1 - IF, Q3 - JCR, 0.414 - SJR, Q2 - SJR). ISSN 0038-1098. Dostupné na: https://doi.org/10.1016/j.ssc.2024.115654 Typ: ADCA
  • KUMARI, Anjali - DIXIT, Aparna - ABRAHAM, Jisha Annie - MANZOOR, Mumtaz - KUMAR, Abhinav - PARVEZ, Mohammad Khalid - KUMAR, Yedluri Anil - MISHRA, Abhishek Kumar - SHARMA, Ramesh. Tuning optoelectronic and thermoelectric attributes of Na2GeX6 (X = Br, Cl) halide double perovskites for high-efficiency solar cells applications. In Materials Science and Engineering B - Solid-State Materials for Advanced Technology, 2024, vol. 310, no. 11, art. no. 117761. (2023: 3.9 - IF, Q2 - JCR, 0.647 - SJR, Q2 - SJR). ISSN 0921-5107. Dostupné na: https://doi.org/10.1016/j.mseb.2024.117761 Typ: ADCA
  • KUMBHAKAR, Jaidev - ABRAHAM, Jisha Annie - SRIVASTAVA, Anshuman - MEENA, K. L. - MANZOOR, Mumtaz - GHFAR, Ayman A. - SHARMA, Ramesh**. Synergistic modulation of SLME and thermal transport toward promising p-type lead-free halide semiconductors In2TiX6 (X = Br, I) via first principles analysis. In International Journal of Quantum Chemistry, 2024, vol. 124, no. 11, art. no. e27424. (2023: 2.3 - IF, Q2 - JCR, 0.393 - SJR, Q3 - SJR). ISSN 0020-7608. Dostupné na: https://doi.org/10.1002/qua.27424 Typ: ADCA
  • MANZOOR, Mumtaz** - IQBAL, Muhammad Waqas - SADIQUE, Iqra - WABAIDUR, Saikh Mohammad - AL-AMMAR, Essam A. - ŠTICH, Ivan - SHARMA, Ramesh - ANSARI, Mohd Zahid. A DFT study: Tailoring Opto-Electronic and Thermoelectric Performance of K2SeX6 (X = Cl, Br) Double Perovskites for Solar Cell Advancements. In Chinese Journal of Physics, 2024, vol. 89, p. 278-289. (2023: 4.6 - IF, Q1 - JCR, 0.637 - SJR, Q2 - SJR). ISSN 0577-9073. Dostupné na: https://doi.org/10.1016/j.cjph.2023.09.016 (APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla. VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER) Typ: ADCA
    Citácie:
    [1.2] ZHANG, Hao - OU, Tianji - JIANG, Wei - WANG, Xiaomeng - ZHUANG, Quan - FENG, Shuang - SUN, Yong - LI, Peifang - MA, Xinjun. The impact of halogens on the structural, electronic, and optical properties of vacancy-ordered double perovskites Rbinf2/infSeXinf6/inf (X=I, Br, Cl). In Journal of Solid State Chemistry, 2024-12-01, 340, pp. ISSN 00224596. Dostupné na: https://doi.org/10.1016/j.jssc.2024.125002, Registrované v: SCOPUS
  • MANZOOR, Mumtaz - ABRAHAM, Jisha Annie - ALTAF, Mohammad - KUMAR, Yedluri Anil - SHARMA, Ramesh. Ab-initio perspective on physical properties of novel anti-perovskites A3SnS (A = Ca, Sr) for photovoltaic and renewable energy technologies. In Polyhedron, 2024, vol. 255, no. 11, art. no. 117132. (2023: 2.4 - IF, Q2 - JCR, 0.379 - SJR, Q3 - SJR, karentované - CCC). (2024 - Current Contents, WOS, SCOPUS). ISSN 0277-5387. Dostupné na: https://doi.org/10.1016/j.poly.2024.117132 Typ: ADCA
  • MANZOOR, Mumtaz - KUMAR, Kamal - MISHRA, Abhishek Kumar - AL-ASBAHI, Bandar Ali - SHARMA, Ramesh. Effect of strain on opto-electronic and thermoelectric properties of 2D SiH monolayer for solar cell and renewable energy applications: A first-principles study. In Solid State Communications, 2024, vol. 386, no. 11, art. no. 115527. (2023: 2.1 - IF, Q3 - JCR, 0.414 - SJR, Q2 - SJR). ISSN 0038-1098. Dostupné na: https://doi.org/10.1016/j.ssc.2024.115527 (APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla. VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER) Typ: ADCA
  • MANZOOR, Mumtaz - DIXIT, Aparna - IQBAL, Muhammad Waqas - SADIQUE, Iqra - ALOTAIBI, Nouf H. - MOHAMMAD, Saikh - SHARMA, Ramesh - REHMAN, Ibad Ur - ISMAYILOVA, N.A. Explored the potential of Rb2SeX6 (X= Cl, Br) double perovskites for energy harvesting devices: A DFT study. In Materials Science and Engineering B - Solid-State Materials for Advanced Technology, 2024, vol.310, no. 11, art. no. 117710. (2023: 3.9 - IF, Q2 - JCR, 0.647 - SJR, Q2 - SJR). ISSN 0921-5107. Dostupné na: https://doi.org/10.1016/j.mseb.2024.117710 (APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla. VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER) Typ: ADCA
  • MANZOOR, Mumtaz - BEHERA, Debidatta - SHARMA, Ramesh - MOAYAD, A.J.A. - AL-KAHTANI, Abdullah A. - KUMAR, Yedluri Anil. Comprehensive first principles to investigate optoelectronic and transport phenomenon of lead-free double perovskites Ba2AsBO6 (B= Nb, Ta) compounds. In Heliyon, 2024, vol. 10, no. 9, art. no. e30109. (2023: 3.4 - IF, Q1 - JCR, 0.617 - SJR, Q1 - SJR). ISSN 2405-8440. Dostupné na: https://doi.org/10.1016/j.heliyon.2024.e30109 (VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER. APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla) Typ: ADCA
  • MANZOOR, Mumtaz - HUSSAIN, Mukhtiar - ASLAM, Muhammad - BUNTOV, Evgeny - SHARMA, Ramesh - ALSHOMRANY, Ali S. - SFINA, N. Tailoring the physical, optoelectronic and transport properties of novel lead-free Sodium perovskites Na2TeX6 (X = Cl, Br, I) using DFT computation for photovoltaic and thermal devices. In Chinese Journal of Physics, 2024, vol. 89, p. 1333-1346. (2023: 4.6 - IF, Q1 - JCR, 0.637 - SJR, Q2 - SJR). ISSN 0577-9073. Dostupné na: https://doi.org/10.1016/j.cjph.2024.02.027 Typ: ADCA
  • NAZIR, Abrar - KHERA, Ejaz Ahmad - MANZOOR, Mumtaz - ALTHUBEITI, Khaled - OTAIBI, Sattam Al - SOLIYEVA, Mukhlisa - ELBOUGHDIRI, Noureddine - ULLAH, Hamid - SHARMA, Ramesh. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies. In Inorganic Chemistry Communications, 2024, vol. 169, no. 11, art. no. 113112. (2023: 4.4 - IF, Q1 - JCR, 0.642 - SJR, Q1 - SJR). ISSN 1387-7003. Dostupné na: https://doi.org/10.1016/j.inoche.2024.113112 Typ: ADCA
  • NAZIR, Abrar - KHERA, Ejaz Ahmad - MANZOOR, Mumtaz - GHFAR, Ayman A. - KUMAR, Yedluri Anil - ULLAH, Hamid - SHARMA, Ramesh. Screening the structural, optoelectronic and thermoelectric features of novel inverse perovskites X3MgNa (X= Cl, Br and I): A theoretical investigation. In Solid State Communications, 2024, vol. 390, no. 11, art. no. 115622. (2023: 2.1 - IF, Q3 - JCR, 0.414 - SJR, Q2 - SJR). ISSN 0038-1098. Dostupné na: https://doi.org/10.1016/j.ssc.2024.115622 (APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla. VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER) Typ: ADCA
  • NAZIR, Abrar - KHERA, Ejaz Ahmad - MANZOOR, Mumtaz - AL-ASBAHI, Bandar Ali - KUMAR, Yedluri Anil - SHARMA, Ramesh. A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites. In Polyhedron, 2024, vol. 257, no. 11, art. no. 117009. (2023: 2.4 - IF, Q2 - JCR, 0.379 - SJR, Q3 - SJR, karentované - CCC). (2024 - Current Contents, WOS, SCOPUS). ISSN 0277-5387. Dostupné na: https://doi.org/10.1016/j.poly.2024.117009 (VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER. APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla) Typ: ADCA
  • NAZIR, Abrar - KHERA, Ejaz Ahmad - MANZOOR, Mumtaz - AL-ASBAHI, Bandar Ali - SHARMA, Ramesh. Tunable opto-electronic and thermoelectric response of alkali based half-Heusler semiconductors AMgN (A = Rb, Cs) for sustainable energy: A computational approach. In Materials Science and Engineering B - Solid-State Materials for Advanced Technology, 2024, vol. 303, art. no. 117338. (2023: 3.9 - IF, Q2 - JCR, 0.647 - SJR, Q2 - SJR). ISSN 0921-5107. Dostupné na: https://doi.org/10.1016/j.mseb.2024.117338 Typ: ADCA
  • NAZIR, Abrar - DIXIT, Aparna - KHERA, Ejaz Ahmad - MANZOOR, Mumtaz - SHARMA, Ramesh - MOAYAD, A. J. A. A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A2YAuI6 (A = Rb, Cs) for solar cell and renewable energy applications. In Materials Advances, 2024, vol. 5, no. 10, p. 4262-4275. (2023: 5.2 - IF, Q2 - JCR, 1.033 - SJR, Q1 - SJR). ISSN 2633-5409. Dostupné na: https://doi.org/10.1039/d4ma00090k (APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla. VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER) Typ: ADMA
  • SHARMA, Ramesh - MANZOOR, Mumtaz - ANSAR, Sabah - KUMAR, Yedluri Anil - SRIVASTAVA, Vipul. A computational approach to study optoelectronic thermoelectric behavior of ternary zinc Aluminates ZnAl2X4 (X =S, Se, Te) for low-cost energy technologies. In Solid State Communications, 2024, vol. 394, no. 11, art. no. 115674. (2023: 2.1 - IF, Q3 - JCR, 0.414 - SJR, Q2 - SJR). ISSN 0038-1098. Dostupné na: https://doi.org/10.1016/j.ssc.2024.115674 (APVV-21-0272 : Štúdium elektrónových vlastností 2D materiálov ultra presnými metódami kvantového Monte Carla. VEGA č. 2/0070/21 : Nízko-dimenzionálne materiály- manipulácia, funkcionalizácia a bioaplikácie: LOW-D-MATTER) Typ: ADCA
  • SHARMA, Ramesh - MANZOOR, Mumtaz** - ANSAR, Sabah - ASLAM, Muhammad - KASHCHENKO, Nadezhda. Screening on optoelectronic and thermoelectric response of novel Zintl phase CaMg2Pn2 (Pn = P, As) for renewable energy applications: A first principles method. In Solid State Communications, 2024, vol. 391, no. 11, art. no. 115633. (2023: 2.1 - IF, Q3 - JCR, 0.414 - SJR, Q2 - SJR). ISSN 0038-1098. Dostupné na: https://doi.org/10.1016/j.ssc.2024.115633 Typ: ADCA
  • SINGH, Sushil Kumar - ABRAHAM, Jisha Annie - SRIVASTAVA, Anshuman - MEENA, K.L. - ALMEER, Rafa - MANZOOR, Mumtaz - SHARMA, Ramesh. Unveiling the energy driven potential Sc-based double perovskite through comprehensive DFT screening on physical, optoelectronic and transport characteristic of Sr2ScAsO6 compound. In Solid State Communications, 2024, vol. 394, no. 11, art. no. 115676. (2023: 2.1 - IF, Q3 - JCR, 0.414 - SJR, Q2 - SJR). ISSN 0038-1098. Dostupné na: https://doi.org/10.1016/j.ssc.2024.115676 Typ: ADCA
  • TIGHEZZA, AmmarM. - SAJID, Muhammad - NAWAZ, Muhammad - MANZOOR, Mumtaz - JAMIL, Muhammad - NAZAR, Mubashir - MASOOD, Muhammad Kashif - REHMAN, Javed. Study of optoelectronic and thermoelectric properties of K2XSbCl6 (X= In, Au) double perovskites for energy conversion devices: A DFT insight. In Physica B: Condensed Matter, 2024, vol. 691, art. no. 416371. (2023: 2.8 - IF, Q2 - JCR, 0.492 - SJR, Q2 - SJR). ISSN 0921-4526. Dostupné na: https://doi.org/10.1016/j.physb.2024.416371 Typ: ADCA
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