Theoretical Study of Ground-State Barium–Rare Gas Van der Waals Complexes: Combining Rule Modeling and Ab Initio Calculations

Authors: Samah Saidi, Mohamed Bejaoui, Hamid Berriche

Source: ACS Omega, Vol 9, Iss 30, Pp 32407-32417 (2024)

Subject Terms: Chemistry, QD1-999

File Description: electronic resource

Relation: https://doaj.org/toc/2470-1343

Access URL: https://doaj.org/article/6fe5102e2db046c6b28db94fd4bee276

Pairwise Model Potential and DFT Study of Li+Nen Clusters (n = 1–20): The Structural, Electronic, and Thermodynamic Properties

Authors: Nesrine Mabrouk, Jamila Dhiflaoui, Mohamed Bejaoui, Samah Saidi, Hamid Berriche

Source: ACS Omega, Vol 8, Iss 44, Pp 41438-41450 (2023)

Subject Terms: Chemistry, QD1-999

File Description: electronic resource

Relation: https://doaj.org/toc/2470-1343

Access URL: https://doaj.org/article/b7439d3870294800b142fad71025cced

DFT Analysis of Ba2NbRhO6: A Promising Double Perovskite for Sustainable Energy Applications.

Authors: Belhachi, Soufyane, Al-Qaisi, Samah, Samah, Saidi, Rached, Habib, Zaman, Abid, Alrebdi, Tahani A., Boutramine, Abderrazak, Erum, Nazia, Ahmed, R., Verma, Ajay Singh

Source: Journal of Inorganic & Organometallic Polymers & Materials; Feb2025, Vol. 35 Issue 2, p978-993, 16p

Subject Terms: PHONON dispersion relations, THERMOELECTRIC materials, CLEAN energy, THERMOELECTRIC apparatus & appliances, ELECTRIC conductivity

Structural, Spectroscopic, and Dynamic Properties of Li2+(X2∑g+) in Interaction with Krypton Atom

Authors: Samah Saidi, Nesrine Mabrouk, Jamila Dhiflaoui, Hamid Berriche

Source: Molecules, Vol 28, Iss 14, p 5512 (2023)

Subject Terms: RCCSD(T) method, RKHS interpolation, vibrational quantum bound states, radial and angular distributions, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/28/14/5512; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/fe352e0b06c6428ba80eca8153898bce

First-principles Investigations of Structural, Thermodynamic, Optoelectronic and Thermoelectric Properties of Rb2CuMF6 (M = As³⁺, Bi³⁺) Eco-friendly Halide Double Perovskites: Materials for Green Energy Applications

Authors: Boutramine, Abderrazak, Al-Qaisi, Samah, Samah, Saidi, Alqorashi, Afaf Khadr, Alrebdi, Tahani A., Ezzeldien, Mohammed, Rahman, Md. Ferdous

Source: Journal of Inorganic & Organometallic Polymers & Materials; Sep2024, Vol. 34 Issue 9, p4374-4391, 18p

Subject Terms: BAND gaps, TRANSPORT theory, ELASTIC constants, PEROVSKITE, LIGHT absorption

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

Authors: Al‐Qaisi, Samah¹, samah.qaisi@gmail.com, Iram, Nazia², erum.n@hotmail.com, Samah, Saidi^3,4, Alqorashi, Afaf Khadr⁵, Aljameel, A. I.⁶, Alrebdi, Tahani A.⁷, taalrebdi@pnu.edu.sa, Abbas, Zeesham⁸, Bouzgarrou, S.^9,10, Rahman, Md. Ferdous¹¹, Verma, Ajay Singh¹²

Source: Journal of Computational Chemistry; 7/5/2024, Vol. 45 Issue 18, p1576-1586, 11p

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

Authors: 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

Source: Journal of Computational Chemistry; 7/5/2024, Vol. 45 Issue 18, p1576-1586, 11p

Subject Terms: BAND gaps, GREEN technology, THERMOELECTRIC materials, SEEBECK coefficient, POWER resources, ELASTIC constants, ALKALI metals, CESIUM compounds

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

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

Source: Optical & Quantum Electronics; Mar2024, Vol. 56 Issue 3, p1-23, 23p

Subject Terms: THERMOELECTRIC materials, BISMUTH telluride, CLEAN energy, ELECTRONIC band structure, BAND gaps, PEROVSKITE, SOLAR cells, THERMOELECTRIC generators, P-type semiconductors