Journal of the Korean Ceramic Society

Insights into optoelectronic behaviors of novel double halide perovskites Cs2KInX6 (X = Br, Cl, I) for energy harvesting: First principal calculation

Physica B: Condensed Matter.2024; 677: 415699. CrossRef

A comparative study of the structural, mechanical, electronic, and optical properties of lead-free cubic AGeX3 (A = Cs, K, and Rb; X = Cl, Br, and I) perovskites: Insights from DFT simulation

Md. Asrafusjaman, Mst. Asma Khatun, Esheta Mahfuj, Mehedi Hasan, A.K.M. Akther Hossain

Results in Physics.2024; 57: 107405. CrossRef

Insight on Cu-doping dependent structural, electronic and optical properties of AgZnF3 Fluro-perovskite for solar cell applications: A DFT study

Ahmed Abbas, Muhammad Bilal Tahir, Bilal Ahmed, M. Sagir, A. Dahshan, H. Elhosiny Ali

Prediction of Efficiency for KSnI3 Perovskite Solar Cells Using Supervised Machine Learning Algorithms

Journal of Electronic Materials.2024;[Epub] CrossRef

Thermoelectric, magneto-electronic, and mechanical properties of new $$X_{2}CeVO_{6} (X=Sr,; Ba)$$ double perovskites for thermoelectric and spintronic applications

M. Agouri, A. Waqdim, A. Abbassi, M. Ouali, S. Taj, B. Manaut, M. Driouich

The European Physical Journal B.2024;[Epub] CrossRef

Studying the impact of biaxial strain on the electronic and optical properties of $$textrm{Ba}_{2}textrm{YBiO}_{6}$$ and $$textrm{Ba}_{2}textrm{ScBiO}_{6}$$ double perovskites for optoelectronic applications: ab initio calculations

Sahil Dani, Hitesh Sharma, Rakesh Kumar, Rabia Pandit

The European Physical Journal Plus.2024;[Epub] CrossRef

Investigating the CsAuX3[X=Cl,Br,I] perovskite materials properties responsible for photovoltaic applications: A first-principles study

Computational Materials Science.2024; 236: 112881. CrossRef

Lithium doping in Na-based double perovskite for hydrogen storage and improving their optoelectrronic properties: First-principles investigation

Materials Chemistry and Physics.2024; 316: 129099. CrossRef

Optimization and detail analysis of novel structure Pb-free CsGeI3-based all-inorganic perovskite solar cells by SCAPS-1D

Md. Helal Miah, Md. Bulu Rahman, Fatema Khatun, Mayeen Uddin Khandaker, Sharifah Fatmadiana Wan Muhammad Hatta, Norhayati Binti Soin, Mohammad Aminul Islam

Investigation of structural, electronic, elastic and optical properties of Ge-halide perovskites NaGeX3 (X = Cl, Br and I): A first-principles DFT study

Redi Kristian Pingak, Soukaina Bouhmaidi, Larbi Setti

Physica B: Condensed Matter.2023; 663: 415003. CrossRef

Ab initio study of structural, elastic, electronic, optical and thermoelectric properties of cubic Ge-based fluoroperovskites AGeF3 (A = K, Rb and Fr)

Soukaina Bouhmaidi, Redi Kristian Pingak, Abdelouahid Azouaoui, Amine Harbi, M. Moutaabbid, Larbi Setti

Solid State Communications.2023; 369: 115206. CrossRef

DFT study of cubic, tetragonal and trigonal structures of KGeCl3 perovskites for photovoltaic applications

Mauwa .M Namisi, Robinson J. Musembi, Winfred M. Mulwa, Bernard O. Aduda

Computational Condensed Matter.2023; 34: e00772. CrossRef

Designing and theoretical study of benzocarbazole-based D-π-D type small molecules donor for organic solar cells

Hanane Etabti, Asmae Fitri, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi

Journal of Molecular Graphics and Modelling.2023; 121: 108455. CrossRef

Non-leaded, KSnI3 based perovskite solar cell: A DFT study along with SCAPS simulation

Grishma Pindolia, Satyam M. Shinde, Prafulla K. Jha

Materials Chemistry and Physics.2023; 297: 127426. CrossRef

The effect of uniaxial strain on electronic and optical properties of halide double perovskites Cs2AgXCl6 (X=Sb, Bi): a DFT approach

Y. Wu, G. Xiang, M. Zhang, J. Liu, D. Wei, C. Cheng, J. Leng, H. Ma

Journal of Alloys and Compounds.2023; 961: 170995. CrossRef

Modification of band gaps by changing anions to optimize the double perovskites K2NaTlX6 (X = Cl, Br, I) for solar cells and transport applications

Abeer Mera, Abdelkareem Almeshal, Syed Awais Rouf, Taharh Zelai, A.I. Aljameel, Othman Hakami, Q. Mahmood

Chemical Physics Letters.2023; 829: 140754. CrossRef

Computational study of inorganic halide cubic perovskite KMnX3 (X = Cl, Br) for energy harvesting applications

Muhammad Riaz, Syed Danish Ali, Maria Sadiq, Mubasher Ali, Syed Mansoor Ali

Chemical Physics.2023; 574: 112038. CrossRef

Tuning the bandgap of cubic and orthorhombic BaZrS3 by substituting sulfur with selenium

Yousef M. Odeh, Said M. Azar, Anas Y. Al-Reyahi, Ahmad A. Mousa, Emad K. Jaradat, Nabil Al Aqtash

The comparative investigations of structural, optoelectronic, and mechanical properties of AgBeX3 (X = F and Cl) metal halide-perovskites for prospective energy applications utilizing DFT approach

Mudasser Husain, Nasir Rahman, Nourreddine Sfina, Nora Hamad Al-Shaalan, Sarah Alharthi, Saif A. Alharthy, Mohammed A. Amin, Vineet Tirth, Rajwali Khan, Mohammad Sohail, Ahmed Azzouz-Rached, Shaukat Ali Khattak, Muhammad Yaqoob Khan

Optical and Quantum Electronics.2023;[Epub] CrossRef

First-principles calculations to investigate lead-free double perovskites CsInSbAgX6 (X = Cl, Br and I) for optoelectronic and thermoelectric applications

Soukaina Bouhmaidi, Amine Harbi, Redi Kristian Pingak, Abdelouahid Azouaoui, Mohammed Moutaabbid, Larbi Setti

Computational and Theoretical Chemistry.2023; 1227: 114251. CrossRef

Lead-free Perovskites TlGeClxBr3-x (x=0,1,2,3) as Promising Materials for Solar Cell Application: a DFT Study

R K Pingak, A Z Johannes, N U J Hauwali, U A Deta

Journal of Physics: Conference Series.2023; 2623(1): 012002. CrossRef

Investigation of heavy thallium perovskites TlGeX (X = Cl, Br and I) for optoelectronic and thermoelectric applications: A DFT study

Soukaina Bouhmaidi, Md Borhan Uddin, Redi Kristian Pingak, Shakeel Ahmad, Mirza Humaun Kabir Rubel, Ahmad Hakamy, Larbi Setti

Materials Today Communications.2023; 37: 107025. CrossRef

Promising anti-perovskites Ba6CCh4 (Ch = S, Se, Te) with direct bandgaps and great light absorption: A first-principles study

Inorganic Chemistry Communications.2023; 157: 111337. CrossRef

Investigation of stress-induced effects on structural, optoelectronic, and elastic characteristics of cubic CaHfO3 perovskite oxide; A DFT study

Muhammad Riaz, M. Sana Ullah Sahar, Syed Mansoor Ali, Muhammad Faizan Shah, S.M. Junaid Zaidi, M. Ijaz Khan

Computational Condensed Matter.2023; 37: e00846. CrossRef

AB-INITIO study of electronic, mechanical, optical and thermoelectric properties of KGeCl3 for photovoltaic application

Mohammed ElSaid Sarhani, Tahar Dahame, Mohamed Lamine Belkhir, Bachir Bentria, Anfal Begagra

Lead-free perovskites InSnX3(X = Cl, Br, I) for solar cell applications: a DFT study on the mechanical, optoelectronic, and thermoelectric properties

Redi Kristian Pingak, Amine Harbi, Mohammed Moutaabbid, Albert Zicko Johannes, Nikodemus Umbu Janga Hauwali, Minsyahril Bukit, Fidelis Nitti, Meksianis Zadrak Ndii

Materials Research Express.2023; 10(9): 095507. CrossRef

Diversity of structural phases in AGeX3 halides

Yaorong Luo, Hao Tian, Xu Li, Lan Chen, Yurong Yang, Di Wu

First-principles Calculations to Investigate Emerging Double Perovskites K2NaMoX6 (X=Cl, I) Compounds for Magnetic and Optoelectronic Applications

Sheharyar Munir, Mehwish Khalid Butt, Shatha A. Aldaghfag, Misbah, Muhammad Yaseen, Nasarullah, Mubashar Nazar, H.H. Somaily

Physica B: Condensed Matter.2022; 645: 414252. CrossRef