Zobrazeno 1 - 10
of 1 430
pro vyhledávání: '"WIEN2k"'
Autor:
Tasawer Shahzad Ahmad, Nimra Ehsan, Maryam Liaqat, S.M. Sohail Gilani, Anwar ul Haq, A.M. Quraishi, Dilsora Abduvalieva, Vineet Tirth, Ali Algahtani, Rawaa M. Mohammed, N.M.A. Hadia, Amnah Mohammed Alsuhaibani, Moamen S. Refat, Abid Zaman
Publikováno v:
Results in Physics, Vol 63, Iss , Pp 107885- (2024)
To explore a good candidate for solar cell applications as an alternative to lead-independent materials, we calculated the structural and mechanical stability of the Rb2TlSbX6 (X = Cl, Br, I) compounds with PBEsol potential. The optoelectronic and th
Externí odkaz:
https://doaj.org/article/21584864e46a4c96bfee46016e3c4f8d
Publikováno v:
Hybrid Advances, Vol 6, Iss , Pp 100197- (2024)
Double perovskites have garnered significant attention for use in renewable energy applications, particularly solar cells. The development of organic-inorganic hybrid halide perovskite solar cells has advanced rapidly over the last ten years. In this
Externí odkaz:
https://doaj.org/article/ab32e71a40574def9e3bde01fca5ba35
Publikováno v:
Archives of Metallurgy and Materials, Vol vol. 68, Iss No 3, Pp 875-880 (2023)
In this paper, structural, electronic, thermal, and thermoelectric properties of Al 0.25B 0.75As alloy, under pressures 0 GPa, 4 GPa and 8 GPa, have been calculated. The value of band gap at present work under 0 GPa, with GGA(PBE) exchange-correlatio
Externí odkaz:
https://doaj.org/article/81ac1dc005984140b24064d2cf3c95ad
Autor:
Rabah Mehyaoui, Karima Benyahia
Publikováno v:
ENP Engineering Science Journal, Vol 3, Iss 1, Pp 48-53 (2023)
Perovskite solar cells are the future of energy production due to the high- efficiency and low production costs. In this work, the structural, electronic and optical properties of the tetragonal inorganic halideperovskiteRbSeBr3 are performed using t
Externí odkaz:
https://doaj.org/article/567f9f4896fd4eeba85f47a2ae3caa83
Autor:
İsmail Yücel
Publikováno v:
Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi, Vol 18, Iss 2, Pp 76-87 (2023)
Thermoelectric materials have widely used applications in technological areas such as electronic devices and data storage. TlInSe2 and TlInTe2 compounds are among these thermoelectric materials. In this study, while the structural, electronic, and op
Externí odkaz:
https://doaj.org/article/06ac71a201b746c899dee210478db927
Autor:
Sadia Khawar, M. Qadeer Afzal, Mudasser Husain, Nourreddine Sfina, Hind Albalawi, Muhammad Azhar Naeem, Nasir Rahman, Mongi Amami, Rajwali Khan, Mohammad Sohail, Aurangzeb Khan
Publikováno v:
Journal of Materials Research and Technology, Vol 21, Iss , Pp 4790-4798 (2022)
In this study, the investigations of structural, electronic, optical, and magnetic properties of a scintillating double perovskite halide (Cs2LiCeCl6) by using the full-potential linearized augmented plane wave (FP-LAPW) method in the framework of de
Externí odkaz:
https://doaj.org/article/53978c86a27e479594c50d6f372c2a66
Autor:
Nasir Rahman, Mudasser Husain, Rajwali Khan, Mohammad Sohail, Tahir Zaman, Abid Ali Khan, Ghulam Murtaza, Riadh Neffati, Aurangzeb Khan
Publikováno v:
Journal of Materials Research and Technology, Vol 21, Iss , Pp 2168-2177 (2022)
Herein the first-principle modeling within the DFT framework is used to investigate the structural, optoelectronic, elastic, and thermoelectric properties of BaMF3 (M = Ag and Cu) ternary halide Perovskites compounds. The computed tolerance factors f
Externí odkaz:
https://doaj.org/article/92f1db13c94448fb932aab6eec2b2fad
Autor:
Umar Ayaz Khan, Naimat Ullah Khan, Abdullah, Abdulaziz H. Alghtani, Vineet Tirth, Sara J. Ahmed, Muhammad Sajjad, Ali Algahtani, Tahir Shaheed, Abid Zaman
Publikováno v:
Journal of Materials Research and Technology, Vol 20, Iss , Pp 3296-3305 (2022)
Structural, electronic, optical and elastic properties of Silver based Perovskite AgXCl3 (X = Ca, Sr) are studied by utilizing wien2k package with in DFT. The structural investigation reveals their stability and shows that these compounds are cubic w
Externí odkaz:
https://doaj.org/article/eaefda02bd824c809f11f9a4cbf656af
Publikováno v:
Condensed Matter Physics, Vol 26, Iss 4, p 43702 (2023)
This study is aimed at exploring the electronic, magnetic, and magneto-optical properties of double perovskites Ca_2FeIrO_6 and Ca_2CoIrO_6 with monoclinic structure (space group P21/c) in order to examine their potential applications in spintronic a
Externí odkaz:
https://doaj.org/article/c10fe086a3f249cab591fb125625407a
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