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Ish: Unveiling the Multifunctional Features of Cs <sub>2</sub> LiMoX <sub>6</sub> (X = Cl and Br) for Green Energy Applications: A DFT Study

  1. BoltzTraP. A code for calculating band-structure dependent quantities

    Georg K. H. Madsen, David J. Singh

    Maqola200637 iqtibos
    ABI

  2. A density functional theory study of the structural, mechanical, optoelectronics and thermoelectric properties of InGeX3 (X = F, Cl) perovskites

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +3

    Maqola202418 iqtibos
    ABI

  3. Wave-Number-Dependent Dielectric Function of Semiconductors

    David R. Penn

    Maqola196215 iqtibos
    ABI

  4. A DFT exploration of the optoelectronic and thermoelectric features of a novel halide double perovskite A<sub>2</sub>YAuI<sub>6</sub> (A = Rb, Cs) for solar cell and renewable energy applications

    Abrar Nazir, Aparna Dixit, Ejaz Ahmad Khera +3

    Maqola202415 iqtibos
    ABI

  5. Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

    Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4

    MaqolaPerovskite Materials and ApplicationsChemical Physics202411 iqtibos
    ABI

  6. Computational Prediction of Structural, Optoelectronic, Thermodynamic, and Thermoelectric Response of the Cubic Perovskite RbTmCl<sub>3</sub> via DFT‐mBJ + SOC Studies

    Ejaz Ahmad Khera, Abrar Nazir, Zubair Ahmed +5

    Maqola202410 iqtibos
    ABI

  7. Probing the opto-electronic, thermoelectric, thermodynamic and elastic responses of lead-free double perovskite Li2ATlCl6 (A = Na and K) for potential photovoltaic and high- energy applications: A DFT study

    Qiguo Xiao, Abrar Nazir, Ejaz Ahmad Khera +5

    Maqola20249 iqtibos
    ABI

  8. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6

    MaqolaAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications20248 iqtibos
    ABI

  9. Efficient planar heterojunction perovskite solar cells by vapour deposition

    Mingzhen Liu, Michael B. Johnston, Henry J. Snaith

    Maqola20137 iqtibos
    ABI

  10. Cs<sub>2</sub>InAgCl<sub>6</sub>: A New Lead-Free Halide Double Perovskite with Direct Band Gap

    George Volonakis, Amir A. Haghighirad, Rebecca L. Milot +7

    Maqola20177 iqtibos
    ABI

  11. Unique Properties of Halide Perovskites as Possible Origins of the Superior Solar Cell Performance

    Wan‐Jian Yin, Tingting Shi, Yanfa Yan

    Maqola20146 iqtibos
    ABI

  12. Figure of merit ZT of a thermoelectric device defined from materials properties

    G. Jeffrey Snyder, Alemayouh H. Snyder

    Maqola20176 iqtibos
    ABI

  13. DFT based comparative analysis of the physical properties of some binary transition metal carbides XC (X = Nb, Ta, Ti)

    Razu Ahmed, Md. Mahamudujjaman, Md. Asif Afzal +3

    Maqola20234 iqtibos
    ABI

  14. Murnaghan’s equation of state for the electronic ground state energy

    V. G. Tyuterev, Nathalie Vast

    Maqola20064 iqtibos
    ABI

  15. Thermoelectric, Structural, Optoelectronic and Magnetic properties of double perovskite Sr2CrTaO6: First principle Study

    S. Haid, W. Benstaali, A. Abbad +3

    Maqola20193 iqtibos
    ABI

  16. Ab-Initio based investigation of the optoelectronic, transport, mechanical properties of vacancy-ordered double perovskites A2PtI6 (A = Na, Li): An emerging class of solar cell and thermoelectric materials

    Anjali Kumari, Jisha Annie Abraham, Abhishek Kumar Mishra +2

    Maqola20253 iqtibos
    ABI

  17. Thermoelectric materials: Energy conversion between heat and electricity

    Xiao Zhang, Li‐Dong Zhao

    Maqola20153 iqtibos
    ABI

  18. First principles methods for elpasolite halide crystal structure prediction at finite temperatures

    Kelly M. Nicholson, Sung Gu Kang, David S. Sholl

    Maqola20132 iqtibos
    ABI

  19. All-inorganic cesium lead halide perovskite nanocrystals for photodetector applications

    Parthiban Ramasamy, Da-Hye Lim, Bumjin Kim +3

    Maqola20152 iqtibos
    ABI

  20. Metal halide perovskites for energy applications

    Wei Zhang, Giles E. Eperon, Henry J. Snaith

    Maqola20162 iqtibos
    ABI

  21. Band Gaps of the Lead-Free Halide Double Perovskites Cs<sub>2</sub>BiAgCl<sub>6</sub> and Cs<sub>2</sub>BiAgBr<sub>6</sub> from Theory and Experiment

    Marina R. Filip, Sam A. J. Hillman, Amir A. Haghighirad +2

    Maqola20162 iqtibos
    ABI

  22. Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation

    Xingang Zhao, Ji‐Hui Yang, Yuhao Fu +5

    Maqola20172 iqtibos
    ABI

  23. Characterization, modeling and physical mechanisms of different surface treatment methods at room temperature on the oxide and interfacial quality of the SiO2 film using the spectroscopic scanning capacitance microscopy

    K.M.-C. Wong

    Maqola20172 iqtibos
    ABI

  24. Temperature-assisted rapid nucleation: a facile method to optimize the film morphology for perovskite solar cells

    Yingke Ren, Xihong Ding, Yahan Wu +7

    Maqola20172 iqtibos
    ABI

  25. Enhanced visible light absorption for lead-free double perovskite Cs<sub>2</sub>AgSbBr<sub>6</sub>

    Fengxia Wei, Zeyu Deng, Shijing Sun +5

    Maqola20192 iqtibos
    ABI