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Structural, elastic, electronic, and optical properties of lead-free halide double perovskites Cs2BꞌBꞌꞌBr6 (BꞌBꞌꞌ: BeMg, CdBe, CdGe, GeMg, GeZn, MgZn): Ab initio calculations
M. Caid, D. Rached, H. Rached, et al.
Journal of Molecular Modeling (2024) Vol. 30, Iss. 3
Closed Access | Times Cited: 48
M. Caid, D. Rached, H. Rached, et al.
Journal of Molecular Modeling (2024) Vol. 30, Iss. 3
Closed Access | Times Cited: 48
Showing 1-25 of 48 citing articles:
A comprehensive DFT analysis of the physical, optoelectronic and thermoelectric attributes of Ba2lnNbO6 double perovskites for eco-friendly technologies
Aparna Dixit, Jisha Annie Abraham, Mumtaz Manzoor, et al.
Materials Science and Engineering B (2024) Vol. 307, pp. 117530-117530
Closed Access | Times Cited: 26
Aparna Dixit, Jisha Annie Abraham, Mumtaz Manzoor, et al.
Materials Science and Engineering B (2024) Vol. 307, pp. 117530-117530
Closed Access | Times Cited: 26
Lead-Free Double Perovskites Rb2TlSbX6 (X=Cl, Br, and I) As an Emerging Aspirant for Solar Cells and Green Energy Applications
Ahmad Ayyaz, Samah Saidi, Noura Dawas Alkhaldi, et al.
Solar Energy (2024) Vol. 279, pp. 112844-112844
Closed Access | Times Cited: 18
Ahmad Ayyaz, Samah Saidi, Noura Dawas Alkhaldi, et al.
Solar Energy (2024) Vol. 279, pp. 112844-112844
Closed Access | Times Cited: 18
A comprehensive DFT investigation of inorganic halide perovskites GaXCl3 (X = Ca, Sr, and Ba) for optoelectronics application
Md. Tanvir Hossain, Md Mehidi Hasan, Fatema-Tuz- Zahra, et al.
Physica B Condensed Matter (2024) Vol. 690, pp. 416131-416131
Closed Access | Times Cited: 16
Md. Tanvir Hossain, Md Mehidi Hasan, Fatema-Tuz- Zahra, et al.
Physica B Condensed Matter (2024) Vol. 690, pp. 416131-416131
Closed Access | Times Cited: 16
DFT investigation of optoelectronic and thermoelectric features of Ba2Ce(Sn,Pt)O6 double perovskites
Mudassir Ishfaq, Shatha A. Aldaghfag, Muhammad Zahid, et al.
Materials Chemistry and Physics (2024) Vol. 321, pp. 129493-129493
Closed Access | Times Cited: 16
Mudassir Ishfaq, Shatha A. Aldaghfag, Muhammad Zahid, et al.
Materials Chemistry and Physics (2024) Vol. 321, pp. 129493-129493
Closed Access | Times Cited: 16
Insight into electronic and magnetic properties of Ba2NiOsO6 double perovskite: A Monte Carlo study and a comparative investigation between TB-mBJ and GGA+U
H. Kerrai, N. Zaim, M. Kerouad, et al.
Computational Materials Science (2024) Vol. 246, pp. 113404-113404
Closed Access | Times Cited: 16
H. Kerrai, N. Zaim, M. Kerouad, et al.
Computational Materials Science (2024) Vol. 246, pp. 113404-113404
Closed Access | Times Cited: 16
Future Insights into Double Perovskites Ba2AlTMO6 (TM = W, Re, and Os) for Sustainable and Clean Energy Production: A DFT Investigation Using GGA, TB-mBJ, and HSE06 Methods
H. Rached, D. Rached, M. Caid, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2025)
Closed Access | Times Cited: 5
H. Rached, D. Rached, M. Caid, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2025)
Closed Access | Times Cited: 5
First-principles calculations to investigate vanadium-doped Li2Te compound for optoelectronic and spintronic applications
H. Mancer, M. Caid, H. Rached, et al.
Optical and Quantum Electronics (2025) Vol. 57, Iss. 2
Closed Access | Times Cited: 2
H. Mancer, M. Caid, H. Rached, et al.
Optical and Quantum Electronics (2025) Vol. 57, Iss. 2
Closed Access | Times Cited: 2
Computational investigation on physical properties of lead based perovskite RPbBr3 (R = Cs, Hg, and Ga) materials for photovoltaic applications
Muhammad Khuram Shahzad, Shoukat Hussain, Ghulam Abbas Ashraf, et al.
Scientific Reports (2024) Vol. 14, Iss. 1
Open Access | Times Cited: 11
Muhammad Khuram Shahzad, Shoukat Hussain, Ghulam Abbas Ashraf, et al.
Scientific Reports (2024) Vol. 14, Iss. 1
Open Access | Times Cited: 11
Theoretical Engineering of Structural, Electronic, and Optical Characteristics of Double Perovskite Sr2XWO6 (X = Co, Zn) for Optical Devices
Abrar Nazir, Ejaz Ahmad Khera, Zeeshan Anjum, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2024)
Closed Access | Times Cited: 10
Abrar Nazir, Ejaz Ahmad Khera, Zeeshan Anjum, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2024)
Closed Access | Times Cited: 10
A DFT Approach to Insight on the Structural, Optoelectronic and Thermoelectric Properties of Cubic Perovskites YXO3 (X = Ga, In) for Renewable Energy Applications
Khalid A. Alrashidi, Aparna Dixit, Abrar Nazir, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2024)
Closed Access | Times Cited: 10
Khalid A. Alrashidi, Aparna Dixit, Abrar Nazir, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2024)
Closed Access | Times Cited: 10
First principles investigation of electronic, magnetic, optical, and mechanical properties halide double perovskites Cs2CuMoX6 (X = Cl, Br) for sustainable energy applications
Nabeel Azeem, Muhammad Waqas Iqbal, Abhinav Kumar, et al.
Materials Science and Engineering B (2025) Vol. 316, pp. 118136-118136
Closed Access | Times Cited: 1
Nabeel Azeem, Muhammad Waqas Iqbal, Abhinav Kumar, et al.
Materials Science and Engineering B (2025) Vol. 316, pp. 118136-118136
Closed Access | Times Cited: 1
Study of electronic, optical, and thermoelectric aspects of double perovskites Rb2TlAsX6 (X = Cl, Br) for green energy applications: a DFT approach
Ahmad Ayyaz, Ali El‐Rayyes, Hafiz Irfan Ali, et al.
Journal of the Korean Ceramic Society (2025)
Closed Access | Times Cited: 1
Ahmad Ayyaz, Ali El‐Rayyes, Hafiz Irfan Ali, et al.
Journal of the Korean Ceramic Society (2025)
Closed Access | Times Cited: 1
DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications
Aparna Dixit, Arti Saxena, Mumtaz Manzoor, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2025)
Closed Access | Times Cited: 1
Aparna Dixit, Arti Saxena, Mumtaz Manzoor, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2025)
Closed Access | Times Cited: 1
Optoelectronic and thermoelectric properties of Cs2PtX6 (X=Cl, Br, I) for energy conversion applications: DFT calculations
Ghulam Mustafa, Sadaf Saba, Bisma Younas, et al.
Materials Today Communications (2024) Vol. 39, pp. 108840-108840
Closed Access | Times Cited: 7
Ghulam Mustafa, Sadaf Saba, Bisma Younas, et al.
Materials Today Communications (2024) Vol. 39, pp. 108840-108840
Closed Access | Times Cited: 7
First-Principles evaluation of Lead-Free X2NaIO6 (X=Sr, Ba) Double-Perovskite: For optoelectronic and solar cell applications
Asima Aziz, Nazia Bibi, Muhammad Usman, et al.
Chemical Physics (2024) Vol. 586, pp. 112405-112405
Closed Access | Times Cited: 7
Asima Aziz, Nazia Bibi, Muhammad Usman, et al.
Chemical Physics (2024) Vol. 586, pp. 112405-112405
Closed Access | Times Cited: 7
Investigation of structural, elastic, electronic, and optical properties of lead-free double perovskites Cs2XBeBr6 (X = Ge, Sn): a first-principles DFT study
M. Caid, H. Rached, D. Rached, et al.
Journal of Molecular Modeling (2024) Vol. 30, Iss. 10
Closed Access | Times Cited: 7
M. Caid, H. Rached, D. Rached, et al.
Journal of Molecular Modeling (2024) Vol. 30, Iss. 10
Closed Access | Times Cited: 7
Investigation of structural, electronic, optical and thermoelectric properties of hallide double perovskite Rb2AlAgX6 (X = Cl, I): A first-principles DFT study
Mushtaq Ali, Fahim Ahmed, Hafiz Naveed Shahzad
Journal of Physics and Chemistry of Solids (2024) Vol. 192, pp. 112097-112097
Closed Access | Times Cited: 6
Mushtaq Ali, Fahim Ahmed, Hafiz Naveed Shahzad
Journal of Physics and Chemistry of Solids (2024) Vol. 192, pp. 112097-112097
Closed Access | Times Cited: 6
A spin-polarized DFT analysis of the physical attributes of vacancy ordered Rb2TcCl6 double perovskite for optoelectronic and spintronics
Ijaz Ali, Junaid Munir, Quratul Ain, et al.
Journal of Magnetism and Magnetic Materials (2024) Vol. 601, pp. 172180-172180
Closed Access | Times Cited: 6
Ijaz Ali, Junaid Munir, Quratul Ain, et al.
Journal of Magnetism and Magnetic Materials (2024) Vol. 601, pp. 172180-172180
Closed Access | Times Cited: 6
DFT assessment on the future prospects of inorganic lead-free halide double perovskites Cs2ABI6 (AB: GeZn, SnBe) for energy conversion technologies
M. Caid, H. Rached, D. Rached, et al.
Computational Condensed Matter (2024) Vol. 41, pp. e00978-e00978
Closed Access | Times Cited: 6
M. Caid, H. Rached, D. Rached, et al.
Computational Condensed Matter (2024) Vol. 41, pp. e00978-e00978
Closed Access | Times Cited: 6
First principles study to investigate structural, optical properties and bandgap engineering of XSnI3(X=Rb, K, Tl, Cs) materials for solar cell applications
Muhammad Hasnain Jameel, Alaa Nihad Tuama, Aqeela Yasin, et al.
Journal of Sol-Gel Science and Technology (2024) Vol. 111, Iss. 3, pp. 966-978
Closed Access | Times Cited: 5
Muhammad Hasnain Jameel, Alaa Nihad Tuama, Aqeela Yasin, et al.
Journal of Sol-Gel Science and Technology (2024) Vol. 111, Iss. 3, pp. 966-978
Closed Access | Times Cited: 5
Optoelectronic and transport properties of Lead-Free halide based Na2AgTlZ6 (Z = Cl, Br, I) double perovskites for energy harvesting applications
Ghulam Mustafa, Sadaf Saba, N.A. Noor, et al.
Inorganic Chemistry Communications (2024) Vol. 165, pp. 112539-112539
Closed Access | Times Cited: 4
Ghulam Mustafa, Sadaf Saba, N.A. Noor, et al.
Inorganic Chemistry Communications (2024) Vol. 165, pp. 112539-112539
Closed Access | Times Cited: 4
Theoretical insight into physical characteristics of lead-free perovskites Rb2TlSbX6 (X = Cl, Br, I) for optoelectronic devices
Ibrar Ali Shah, Muhammad Imran, Fayyaz Hussain, et al.
Journal of Molecular Modeling (2024) Vol. 30, Iss. 9
Closed Access | Times Cited: 4
Ibrar Ali Shah, Muhammad Imran, Fayyaz Hussain, et al.
Journal of Molecular Modeling (2024) Vol. 30, Iss. 9
Closed Access | Times Cited: 4
Bandgap Nature Transition and the Optical Properties of ABX3 (A = K, Rb; B = Sr, Ba, Ca; X = Cl, Br, I) Perovskites under Pressure
Mohib Ullah, Naqeeb Ullah, Ammar M. Tighezza, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2024)
Closed Access | Times Cited: 4
Mohib Ullah, Naqeeb Ullah, Ammar M. Tighezza, et al.
Journal of Inorganic and Organometallic Polymers and Materials (2024)
Closed Access | Times Cited: 4
Theoretical study of vacancy-ordered rubidium double perovskites (Rb2VBr6, Rb2CrBr6, and Rb2MnBr6) for spintronics, optoelectronics and thermoelectronics applications
M. Musa Saad H.-E., B.O. Alsobhi
Physics Letters A (2025), pp. 130276-130276
Closed Access
M. Musa Saad H.-E., B.O. Alsobhi
Physics Letters A (2025), pp. 130276-130276
Closed Access
Study on the structural, electronic and optical properties of double perovskites Rb2XCuCl6 (X = Y, B, Al, Ga, In) based on first-principles
Yao Wang, Xiaonan Wei, Tian‐Yu Tang, et al.
Inorganic Chemistry Communications (2025), pp. 114059-114059
Closed Access
Yao Wang, Xiaonan Wei, Tian‐Yu Tang, et al.
Inorganic Chemistry Communications (2025), pp. 114059-114059
Closed Access