Revealing the Structural, Elastic, Electronic, and Optical Properties of K2ScCuCl6 and K2YCuCl6: An In-Depth Exploration Using Density Functional Theory-Reference-Cited by-同舟云学术

Revealing the Structural, Elastic, Electronic, and Optical Properties of K₂ScCuCl₆ and K₂YCuCl₆: An In-Depth Exploration Using Density Functional Theory

Published:2024-03-29 Issue:14 Volume:9 Page:16860-16867
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Shah Saima Ahmad¹²,Husain Mudasser³,Rahman Nasir⁴^ORCID,Sfina Nourreddine⁵,Elhadi Muawya⁶,Tirth Vineet⁷⁸^ORCID,Alotaibi Afraa⁹,Khan Aurangzeb¹

Affiliation:

1. Department of Physics, Abdul Wali Khan University, Mardan 23200, Pakistan

2. Department of Physics, Shaheed Benazir Bhutto Women University, Peshawar 00384, Pakistan

3. State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, P. R. China

4. Department of Physics, University of Lakki Marwat, Lakki Marwat, Khyber Pakhtunkhwa 28420, Pakistan

5. College of Sciences and Arts in Mahayel Asir, Department of Physics, King Khalid University, Abha 61413, Saudi Arabia

6. Department of Physics, Faculty of Science and Humanities, Shaqra University, P.O. Box 1040, Ad-Dawadimi 11911, Saudi Arabia

7. Mechanical Engineering Department, College of Engineering, King Khalid University, Abha, Asir 61421, Kingdom of Saudi Arabia

8. Centre for Engineering and Technology Innovations, King Khalid University, Abha 61421, Kingdom of Saudi Arabia

9. Department of Physics, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia

Funder

Deanship of Scientific Research, King Khalid University

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.4c01923

Reference45 articles.

1. Molecular level manipulation of charge density for solid-liquid TENG system by proton irradiation

2. Reversible calcium alloying enables a practical room-temperature rechargeable calcium-ion battery with a high discharge voltage

3. Periodic Density Functional Theory (PDFT) Simulating Crystal Structures with Microporous CHA Framework: An Accuracy and Efficiency Study

4. A Novel Aluminum-Graphite Dual-Ion Battery

5. Simulating Crystal Structure, Acidity, Proton Distribution, and IR Spectra of Acid Zeolite HSAPO-34: A High Accuracy Study

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