Works matching AU Al‐Qaisi, Samah

Results: 26

Effects of Cr Doping on the Physical Properties of Ga1−xCrxAs Alloys: An Ab Initio Study.

Published in:

Physica Status Solidi (B), 2025, v. 262, n. 6, p. 1, doi. 10.1002/pssb.202400644

By:

Biskri, Zine Elabidine;
Moderres, Mourad;
Rached, Habib;
Caid, Messaoud;
Rached, Djamel;
Rached, Youcef;
Mahmoud, Nada Talal;
Al‐Qaisi, Samah

Publication type:

Article

Ab initio Insight of the Electronic, Structural, Mechanical and Optical Properties of X3P2 (X= Mg, Ca) from GGA and Hybrid Functional (HSE06).

Published in:

Journal of Superconductivity & Novel Magnetism, 2022, v. 35, n. 1, p. 79, doi. 10.1007/s10948-021-06009-3

By:

Bougherara, K.;
Al-Qaisi, Samah;
Laref, Amel;
Vu, Tuan V.;
Rai, D. P.

Publication type:

Article

First principles study of magneto-electronic and thermoelectric properties of quaternary CoZrMnSb for spintronics and waste heat recovery energy applications.

Published in:

Optical & Quantum Electronics, 2024, v. 56, n. 6, p. 1, doi. 10.1007/s11082-024-06891-w

By:

Azam, Abida;
Erum, Nazia;
Sharma, Ramesh;
Srivastava, Vipul;
Al-Qaisi, Samah;
Ghfar, Ayman A.;
Ullah, Hamid;
Ahmed, Zubair

Publication type:

Article

Insight into the physical properties of lead-free Chloroperovskites GaXCl3 (X = Be, Ca) compounds: probed by DFT.

Published in:

Optical & Quantum Electronics, 2024, v. 56, n. 5, p. 1, doi. 10.1007/s11082-024-06345-3

By:

Khan, Zaryab;
Khan, Saima Naz;
Husain, Mudasser;
Rahman, Nasir;
Tirth, Vineet;
Elhadi, Muawya;
Azzouz-Rached, Ahmed;
Ullah, Wasi;
Uzair, Muhammad;
Al-Qaisi, Samah;
Khan, Aurangzeb;
Alotaibi, Afraa

Publication type:

Article

Optoelectronic and thermoelectric properties of new lead-free K2NaSbZ6 (Z = Br, I) halide double-perovskites for clean energy applications: a DFT study.

Published in:

Optical & Quantum Electronics, 2024, v. 56, n. 3, p. 1, doi. 10.1007/s11082-024-06344-4

By:

Boutramine, Abderrazak;
Al-Qaisi, Samah;
Samah, Saidi;
Iram, Nazia;
Alrebdi, Tahani A.;
Bouzgarrou, Sonia;
Verma, Ajay Singh;
Belhachi, Soufyane;
Sharma, Ramesh

Publication type:

Article

A theoretical investigation of the Ba2CePtO6 double perovskite for optoelectronic and thermoelectric applications.

Published in:

Optical & Quantum Electronics, 2024, v. 56, n. 3, p. 1, doi. 10.1007/s11082-023-06113-9

By:

Boutramine, Abderrazak;
Al-Qaisi, Samah;
Ali, Malak Azmat;
Alrebdi, Tahani A.;
Alqorashi, Afaf Khadr;
Verma, Ajay Singh;
Abbas, Zeesham;
Yousef, El Sayed;
Sharma, Ramesh;
Mushtaq, Muhammad

Publication type:

Article

A comprehensive first-principles study on the physical properties of Sr2ScBiO6 for low-cost energy technologies.

Published in:

Optical & Quantum Electronics, 2023, v. 55, n. 11, p. 1, doi. 10.1007/s11082-023-05282-x

By:

Al-Qaisi, Samah;
Rached, Habib;
Ali, Malak Azmat;
Abbas, Zeesham;
Alrebdi, Tahani A.;
Hussein, Khaild I.;
Khuili, Mohamed;
Rahman, Nasir;
Verma, Ajay Singh;
Ezzeldien, Mohammed;
Morsi, Manal

Publication type:

Article

Electronic and optical properties of bulk and surface of CsPbBr3 inorganic halide perovskite a first principles DFT 1/2 approach.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-99551-y

By:

Ezzeldien, Mohammed;
Al-Qaisi, Samah;
Alrowaili, Z. A.;
Alzaid, Meshal;
Maskar, E.;
Es-Smairi, A.;
Vu, Tuan V.;
Rai, D. P.

Publication type:

Article

A Deep Analysis and Enhancing Photovoltaic Performance Above 31% with New Inorganic RbPbI3‐Based Perovskite Solar Cells via DFT and SCAPS‐1D.

Published in:

Advanced Theory & Simulations, 2024, v. 7, n. 10, p. 1, doi. 10.1002/adts.202400476

By:

Rahman, Md. Ferdous;
Harun‐Or‐Rashid, Md.;
Islam, Md. Rasidul;
Irfan, Ahmad;
Chaudhry, Aijaz Rasool;
Rahman, Md. Atikur;
Al‐Qaisi, Samah

Publication type:

Article

Study of the dependence of the ZT figure of merit on doping and temperature of ZnO.

Published in:

International Journal of Computational Materials Science & Engineering, 2024, v. 13, n. 1, p. 1, doi. 10.1142/S2047684123500136

By:

Khuili, Mohamed;
Saadi, Hajar;
Fazouan, Nejma;
Sadiki, Yassine;
Al-Qaisi, Samah;
Atmani, El Houssine;
Abba, El Hassan

Publication type:

Article

Lead-free alternative cation (Ethylammonium) in organometallic perovskites for thermoelectric applications.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 3, p. 1, doi. 10.1007/s00894-024-05867-7

By:

Dubey, Anusha;
Pandit, Naincy;
Singh, Rashmi;
Joshi, Tarun Kumar;
Choudhary, Banwari Lal;
Kamlesh, Peeyush Kumar;
Al-Qaisi, Samah;
Kumar, Tanuj;
Kaur, Kulwinder;
Verma, Ajay Singh

Publication type:

Article

Modeling and simulation of multifaceted properties of X2NaIO6 (X = Ca and Sr) double perovskite oxides for advanced technological applications.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 12, p. 1, doi. 10.1007/s00894-023-05786-z

By:

Bairwa, Jitendra Kumar;
Rani, Monika;
Kamlesh, Peeyush Kumar;
Singh, Rashmi;
Rani, Upasana;
Al-Qaisi, Samah;
Kumar, Tanuj;
Kumari, Sarita;
Verma, Ajay Singh

Publication type:

Article

Electronic structure, theoretical power conversion efficiency, and thermoelectric properties of bismuth-based alkaline earth antiperovskites.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 10, p. 1, doi. 10.1007/s00894-023-05732-z

By:

Rani, Upasana;
Kamlesh, Peeyush Kumar;
Joshi, Tarun Kumar;
Singh, Rashmi;
Al-Qaisi, Samah;
Gupta, Rajeev;
Kumar, Tanuj;
Verma, Ajay Singh

Publication type:

Article

Exploring the Multifunctional Properties of Tm‐Doped AlxGa1−xN Alloys: From Potoluminescence to Spintronics.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 23, p. 1, doi. 10.1002/qua.27520

By:

Belhachi, Soufyane;
Merabet, B.;
Al‐Qaisi, Samah;
Goumri‐Said, Souraya

Publication type:

Article

Exploring structural, optoelectronic, and thermoelectric properties of SrCaGe and SrCaSn half Heusler compounds.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 9, p. 1, doi. 10.1002/qua.27375

By:

Bahara, D.;
Al‐Qaisi, Samah;
Akila, Boumaza;
Dutta, Ashim;
Mundad, T.;
Alofi, Ayman S.;
Bakkour, Youssef

Publication type:

Article

A DFT calculation of electronic structures, magnetic, and thermoelectric properties of the new equiatomic quaternary Heusler alloy RuTiCrSi.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 8, p. 1, doi. 10.1002/qua.27371

By:

Dergal, Samiha;
Al‐Qaisi, Samah;
Rached, Habib;
Ouerdane, Abdellah

Publication type:

Article

Enhanced mechanical, optoelectronic and thermoelectric properties of binary CdO by under pressure: An ab initio study.

Published in:

International Journal of Quantum Chemistry, 2024, v. 124, n. 5, p. 1, doi. 10.1002/qua.27360

By:

Erum, Nazia;
Sharma, Ramesh;
Anwar, Nadia;
Al‐Qaisi, Samah;
Al‐Anazy, Murefah mana;
Yousef, El Sayed

Publication type:

Article

DFT study on the structural, electronic, optical, and electrical properties of CuO based on GGA+U and TB-mBJ approximations.

Published in:

Modern Physics Letters B, 2023, v. 37, n. 28, p. 1, doi. 10.1142/S0217984923501002

By:

Es-Smairi, Adil;
Fazoun, Nejma;
Maskar, E.;
Bziz, Ibrahim;
Ouhammou, Ahmed;
Atmani, El Houssine;
Laref, A.;
Al-Qaisi, Samah;
Rai, D. P.

Publication type:

Article

Exploring properties of organometallic double perovskite (CH3NH3)2AgInCl6: A novel material for energy conversion devices.

Published in:

Modern Physics Letters B, 2023, v. 38, n. 18, p. 1, doi. 10.1142/S0217984924501446

By:

Rani, Upasana;
Kamlesh, Peeyush Kumar;
Singh, Rashmi;
Kumar, Tanuj;
Gupta, Rajeev;
Al-Qaisi, Samah;
Kaur, Kulwinder;
Verma, Ajay Singh

Publication type:

Article

High-pressure structural phase transition and electronic properties of the alkali hydrides compounds XH (X = Li, Na).

Published in:

Phase Transitions, 2017, v. 90, n. 9, p. 914, doi. 10.1080/01411594.2017.1286488

By:

Jaradat, Raed;
Abu-Jafar, Mohammed;
Abdelraziq, Issam;
Khenata, Rabah;
Varshney, Dinesh;
Omran, Saad Bin;
Al-Qaisi, Samah

Publication type:

Article

Electronic, structural and magnetic properties of TbO under pressure: FP-LAPW study.

Published in:

Phase Transitions, 2016, v. 89, n. 12, p. 1155, doi. 10.1080/01411594.2016.1156111

By:

Al-Qaisi, Samah;
Abu-Jafar, M. S.;
Gopir, G. K.;
Khenata, R.

Publication type:

Article

DFT Insights Into the Structural, Stability, Elastic, and Optoelectronic Characteristics of Na2LiZF6 (Z = Ir and Rh) Double Perovskites for Sustainable Energy.

Published in:

Journal of Computational Chemistry, 2025, v. 46, n. 8, p. 1, doi. 10.1002/jcc.70097

By:

Es‐Smairi, Adil;
Al‐Qaisi, Samah;
Sfina, N.;
Boutramine, Abderrazak;
Jappor, Hamad Rahman;
Alzahrani, Hind Saeed;
Alfaifi, Amani H.;
Rached, Habib;
Verma, Ajay Singh;
Archi, Marouane;
Rahman, Md. Ferdous

Publication type:

Article

Opto‐electronic and thermophysical characteristics of A2TlAgF6 (A = Rb, Cs) for green technology applications.

Published in:

Journal of Computational Chemistry, 2024, v. 45, n. 18, p. 1576, doi. 10.1002/jcc.27347

By:

Al‐Qaisi, Samah;
Iram, Nazia;
Samah, Saidi;
Alqorashi, Afaf Khadr;
Aljameel, A. I.;
Alrebdi, Tahani A.;
Abbas, Zeesham;
Bouzgarrou, S.;
Rahman, Md. Ferdous;
Verma, Ajay Singh

Publication type:

Article

Study of mechanical, optical, and thermoelectric characteristics of Ba2XMoO6 (X = Zn, Cd) double perovskite for energy harvesting.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 32, p. 2442, doi. 10.1002/jcc.27209

By:

Al‐Qaisi, Samah;
Rached, Habib;
Alrebdi, Tahani A.;
Bouzgarrou, S.;
Behera, Debidatta;
Mukherjee, Sanat Kumar;
Khuili, Mohamed;
Adam, Mohamed;
Verma, Ajay Singh;
Ezzeldien, Mohammed

Publication type:

Article

Structural, electronic, magnetic and thermoelectric properties of Tl2NbX6 (X = Cl, Br) variant perovskites calculated via density functional theory.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 23, p. 1875, doi. 10.1002/jcc.27166

By:

Ali, Malak Azmat;
Bahajjaj, Aboud Ahmed Awadh;
Al‐Qaisi, Samah;
Sillanpää, Mika;
Khan, Afzal;
Wang, Xiaoyu

Publication type:

Article

A theoretical investigation of the lead‐free double perovskites halides Rb2XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 19, p. 1690, doi. 10.1002/jcc.27119

By:

Al‐Qaisi, Samah;
Mebed, Abdelazim M.;
Mushtaq, Muhammad;
Rai, D. P.;
Alrebdi, Tahani A.;
Sheikh, Rais Ahmad;
Rached, Habib;
Ahmed, R.;
Faizan, Muhammad;
Bouzgarrou, S.;
Javed, Muhammad Anjum

Publication type:

Article

Works matching AU Al‐Qaisi, Samah

Effects of Cr Doping on the Physical Properties of Ga<sub>1−x</sub>Cr<sub>x</sub>As Alloys: An Ab Initio Study.

Ab initio Insight of the Electronic, Structural, Mechanical and Optical Properties of X3P2 (X= Mg, Ca) from GGA and Hybrid Functional (HSE06).

First principles study of magneto-electronic and thermoelectric properties of quaternary CoZrMnSb for spintronics and waste heat recovery energy applications.

Insight into the physical properties of lead-free Chloroperovskites GaXCl<sub>3</sub> (X = Be, Ca) compounds: probed by DFT.

Optoelectronic and thermoelectric properties of new lead-free K<sub>2</sub>NaSbZ<sub>6</sub> (Z = Br, I) halide double-perovskites for clean energy applications: a DFT study.

A theoretical investigation of the Ba<sub>2</sub>CePtO<sub>6</sub> double perovskite for optoelectronic and thermoelectric applications.

A comprehensive first-principles study on the physical properties of Sr<sub>2</sub>ScBiO<sub>6</sub> for low-cost energy technologies.

Electronic and optical properties of bulk and surface of CsPbBr<sub>3</sub> inorganic halide perovskite a first principles DFT 1/2 approach.

A Deep Analysis and Enhancing Photovoltaic Performance Above 31% with New Inorganic RbPbI<sub>3</sub>‐Based Perovskite Solar Cells via DFT and SCAPS‐1D.

Study of the dependence of the ZT figure of merit on doping and temperature of ZnO.

Lead-free alternative cation (Ethylammonium) in organometallic perovskites for thermoelectric applications.

Modeling and simulation of multifaceted properties of X<sub>2</sub>NaIO<sub>6</sub> (X = Ca and Sr) double perovskite oxides for advanced technological applications.

Electronic structure, theoretical power conversion efficiency, and thermoelectric properties of bismuth-based alkaline earth antiperovskites.

Exploring the Multifunctional Properties of Tm‐Doped Al<sub>x</sub>Ga<sub>1−</sub><sub>x</sub>N Alloys: From Potoluminescence to Spintronics.

Exploring structural, optoelectronic, and thermoelectric properties of SrCaGe and SrCaSn half Heusler compounds.

A DFT calculation of electronic structures, magnetic, and thermoelectric properties of the new equiatomic quaternary Heusler alloy RuTiCrSi.

Enhanced mechanical, optoelectronic and thermoelectric properties of binary CdO by under pressure: An ab initio study.

DFT study on the structural, electronic, optical, and electrical properties of CuO based on GGA+U and TB-mBJ approximations.

Exploring properties of organometallic double perovskite (CH<sub>3</sub>NH<sub>3</sub>)<sub>2</sub>AgInCl<sub>6</sub>: A novel material for energy conversion devices.

High-pressure structural phase transition and electronic properties of the alkali hydrides compounds XH (X = Li, Na).

Electronic, structural and magnetic properties of TbO under pressure: FP-LAPW study.

DFT Insights Into the Structural, Stability, Elastic, and Optoelectronic Characteristics of Na<sub>2</sub>LiZF<sub>6</sub> (Z = Ir and Rh) Double Perovskites for Sustainable Energy.

Opto‐electronic and thermophysical characteristics of A<sub>2</sub>TlAgF<sub>6</sub> (A = Rb, Cs) for green technology applications.

Study of mechanical, optical, and thermoelectric characteristics of Ba<sub>2</sub>XMoO<sub>6</sub> (X = Zn, Cd) double perovskite for energy harvesting.

Structural, electronic, magnetic and thermoelectric properties of Tl<sub>2</sub>NbX<sub>6</sub> (X = Cl, Br) variant perovskites calculated via density functional theory.

A theoretical investigation of the lead‐free double perovskites halides Rb<sub>2</sub>XCl<sub>6</sub> (X = Se, Ti) for optoelectronic and thermoelectric applications.