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Работы, на которые ссылается эта работа

Работ: 83

Работа: Insight of thermodynamic properties by the substitution of alkali metal ions in X2InGaCl6 (X = K, Rb, Cs) perovskites: DFT calculation and AIMD simulation

  1. An ab-initio study of the physical properties of Ge-based perovskites (XGeH3: X=Mg, Ca, and Sr) for potential hydrogen storage application

    M. Kashif Masood, Ghulam Murtaza, Nadia Ahmad +6

    Статья2024Цитирований: 3
    ABI

  2. Solid state calculations using WIEN2k

    Karlheinz Schwarz, Peter Blaha

    Статья2003Цитирований: 3
    ABI

  3. High-throughput electronic band structure calculations: Challenges and tools

    Wahyu Setyawan, Stefano Curtarolo

    Статья2010Цитирований: 3
    ABI

  4. Insights on electronic structures, elastic features and optical properties of mixed-valence double perovskites Cs2Au2X6 (X=F, Cl, Br, I)

    Xue Du, Dafang He, Huayue Mei +2

    Статья2019Цитирований: 3
    ABI

  5. DFT based first principles study of novel combinations of perovskite-type hydrides XGaH3 (X = Rb, Cs, Fr) for hydrogen storage applications

    R.M. Arif Khalil, Shafqat Hayat, Muhammad Iqbal Hussain +2

    Статья2021Цитирований: 3
    ABI

  6. High throughput screening of promising lead-free inorganic halide double perovskites <i>via</i> first-principles calculations

    Zhengyang Gao, Guangyang Mao, Shengyi Chen +7

    Статья2022Цитирований: 3
    ABI

  7. First-principles study on structural, electronic and optical properties of halide double perovskite Cs<sub>2</sub>AgBX<sub>6</sub> (B = In, Sb; X = F, Cl, Br, I)

    Chol‐Jun Yu, Il-Chol Ri, Hak-Myong Ri +3

    Статья2023Цитирований: 3
    ABI

  8. Optimal heat storage temperature and performance of ORC-based Carnot battery at various application scenarios

    Jian Li, Xu Chen, Jun Shen +2

    Статья2024Цитирований: 3
    ABI

  9. Comprehensive DFT study of K2TlZI6 (Z = Al, In) double perovskites: Structural stability and potential for optoelectronic and thermoelectric energy harvesting

    Samah Al‐Qaisi, Nazia Iram, N. Sfina +7

    Статья2025Цитирований: 3
    ABI

  10. Occurrence, Classification, and Biological Function of Hydrogenases:  An Overview

    Paulette M. Vignais, Bernard Billoud

    Обзорная статья2007Цитирований: 2
    ABI

  11. Climate and atmospheric history of the past 420,000 years from the Vostok ice core, Antarctica

    Jean‐Robert Petit, J. Jouzel, Dominique Raynaud +16

    Статья1999Цитирований: 2
    ABI

  12. 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

    Upasana Rani, Peeyush Kumar Kamlesh, Rashmi Singh +5

    Статья2023Цитирований: 2
    ABI

  13. Tuning the optoelectronic and thermoelectric characteristics of narrow bandgap Rb2AlInX6(X= Cl, Br, I) double perovskites: A DFT study

    Saba Iqbal, Ghulam Mustafa, Mazia Asghar +4

    Статья2022Цитирований: 2
    ABI

  14. General methods for geometry and wave function optimization

    Thomas Fischer, Jan Almløf

    Статья1992Цитирований: 2
    ABI

  15. Novel silicon allotropes: Stability, mechanical, and electronic properties

    Qingyang Fan, Changchun Chai, Qun Wei +8

    Статья2015Цитирований: 2
    ABI

  16. First-principles simulation: ideas, illustrations and the CASTEP code

    Matthew Segall, Philip J. D. Lindan, Matt Probert +4

    Статья2002Цитирований: 2
    ABI

  17. Lead-Free Halide Double Perovskites via Heterovalent Substitution of Noble Metals

    George Volonakis, Marina R. Filip, Amir A. Haghighirad +4

    Статья2016Цитирований: 2
    ABI

  18. Revealing optoelectronic and transport properties of potential perovskites Cs2PdX6 (X = Cl, Br): A probe from density functional theory (DFT)

    K.C. Bhamu, Amit Soni, Jagrati Sahariya

    Статья2018Цитирований: 2
    ABI

  19. New ferromagnetic half-metallic perovskites for spintronic applications: BaMO<sub>3</sub> (M = Mg and Ca)

    Shabir Ahmad Mir, Ab Quyoom Seh, Dinesh C. Gupta

    Статья2020Цитирований: 2
    ABI

  20. Optoelectronic and elastic properties of metal halides double perovskites Cs2InBiX6 (X = F, Cl, Br, I)

    Muhammad Saeed, Izaz Ul Haq, Shafiq Ur Rehman +5

    Статья2021Цитирований: 2
    ABI

  21. Halide double perovskite Cs2AgInBr6 for photovoltaic’s applications: Optical properties and stability

    Adel Menedjhi, N. Bouarissa, S. Saib +1

    Статья2021Цитирований: 2
    ABI

  22. First-principles calculations to investigate structural, elastic, electronic and optical properties of lead-free perovskite derivatives Cs2SeX6 (X=Cl, Br, I)

    De‐Yuan Hu, Xian‐Hao Zhao, Tian‐Yu Tang +3

    Статья2021Цитирований: 2
    ABI

  23. Investigation of electronic, optical and thermoelectric features of X2ScAgCl6 (X=K, Na) double perovskites for renewable energy applications

    Shatha A. Aldaghfag, Asima Aziz, Aasma Younas +3

    Статья2022Цитирований: 2
    ABI

  24. Physical Properties of Sr<sub>2</sub>MWO<sub>6</sub> (M=Ca, Mg) for Renewable Energy Applications

    Asima Aziz, Irfana Arshad, Shatha A. Aldaghfag +6

    Статья2022Цитирований: 2
    ABI

  25. Physical Properties of Ba2XIO6 (X = Ag, Na) Double Perovskite Oxides for Energy Harvesting Devices

    Muhammad Zafarullah Kazim, Muhammad Yaseen, A. Ghaffar +1

    Статья2022Цитирований: 2
    ABI