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RESEARCH PAPER · Journal of Solid State Chemistry · 2013

Synthesis and characterization of ASnF3 (A=Na+, K+, Rb+, Cs+)

T. Thao Tran, P. Shiv Halasyamani

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Synthesis and characterization of ASnF3 (A=Na+, K+, Rb+, Cs+)OriginalChemInform Abstract: Synthesis and Characterization of ASnF3 (A: Na+, K+, Rb+, Cs+).0Mechanochemical synthesis of layered perovskite structured fluorides A2MF4 (A=K, Rb; M=Co, Cu, Mg) and their transformation to AMF3 phase by mechanical activation4119Sn Mössbauer spectroscopy of solvothermally synthesized fluorides ASnF3 (A = Na, K, Rb, Cs)2Finding New Perovskite Halides via Machine Learning204Dynamic Stereochemical Activity of the Sn 2+ Lone Pair in Perovskite CsSnBr 3334High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites71An alkaline tin(II) halide compound Na 3 Sn 2 F 6 Cl: Synthesis, structure, and characterization10First-principle studies of the optoelectronic properties of ASnF3 (A = Na, K, Rb and Cs)34Fluorine ion induced phase evolution of tin-based perovskite thin films: structure and properties22Utilizing an In Situ Reduction in the Synthesis of BaMoOF54Serendipitous formation of K15NaSn5F361Tin(II)-Induced Large Birefringence Enhancement in Metal Phosphates22The Lithium Iodostannate LiSn3I7: Synthesis, Properties and its Relationship to SnI21Quantum mechanical simulation of various phases of KVF3 perovskite5The study of optical and thermoelectric behaviour of thalium based flouropervoskite (TlSiF3) for photovoltaic and renewable energy applications by DFT34The Tetrel Bond and Tetrel Halide Perovskite Semiconductors10Synergy of 3D and 2D Perovskites for Durable, Efficient Solar Cells and Beyond249Rational Design of the Alkali Metal Sn‐Based Mixed Halides with Large Birefringence and Wide Transparent Range45High-entropy alloy screening for halide perovskites17DFT Investigation of Structural Stability, Optical Properties, and PCE for All-Inorganic Csx(Pb/Sn)yXz Halide Perovskites12Investigation of structure, optoelectronic, and thermodynamic properties of gallium-based perovskites GaMF3 (M = Ca, and Cd) for solar cell applications6Potential of titanium mixed-halide perovskites, Cs2TiBr2I4, as a light harvester in solar cells1A-Site Cation Chemistry in Halide Perovskites123First-principles study of structural, electronic and optical properties of non-toxic RbBaX 3 (X = F, Cl, Br, I) perovskites under hydrostatic pressure10A DFT Manifestation of the physical, thermodynamic and thermoelectric properties in Sn-based halide perovskites14Modulating physical properties of ASnF3 (A = K, Rb) perovskites under pressure: Insights for enhanced optoelectronic performance via first-principles5Pressure-tunable optoelectronic and photovoltaic properties of lead-free ZnAgF3 and ZnAg(F0.5Cl0.5)3 Perovskites: A first-principles and device-level study7Polymorphism of BaTeO 3 under High Pressure: Single-Crystal Structure Analysis and Characterization of HP-BaTeO 32First principles study of CsSnX3 (X = Cl, F) lead-free inorganic halide perovskites: Structural and electronic properties0

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  1. ChemInform Abstract: Synthesis and Characterization of ASnF3 (A: Na+, K+, Rb+, Cs+).

    ChemInform · 2014-03-06

    T. Thao Tran, P. Shiv Halasyamani

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  2. Mechanochemical synthesis of layered perovskite structured fluorides A2MF4 (A=K, Rb; M=Co, Cu, Mg) and their transformation to AMF3 phase by mechanical activation

    Journal of Fluorine Chemistry · 2014-06-18

    Poonam Singh, Pooja Rawat, R. Nagarajan

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  3. 119Sn Mössbauer spectroscopy of solvothermally synthesized fluorides ASnF3 (A = Na, K, Rb, Cs)

    Zeitschrift für Naturforschung B · 2015-08-22

    Birgit Gerke, T. Thao Tran, Rainer Pöttgen, P. Shiv Halasyamani

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  4. Finding New Perovskite Halides via Machine Learning

    Frontiers in Materials · 2016-04-26

    Ghanshyam Pilania, Prasanna V. Balachandran, Chiho Kim, Turab Lookman

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  5. Dynamic Stereochemical Activity of the Sn 2+ Lone Pair in Perovskite CsSnBr 3

    Journal of the American Chemical Society · 2016-09-01

    Douglas H. Fabini, Geneva Laurita, Jonathon S. Bechtel, Constantinos C. Stoumpos, Hayden A. Evans, Athanassios G. Kontos, Yannis S. Raptis, Polycarpos Falaras, Anton Van der Ven, Mercouri G. Kanatzidis, Ram Seshadri

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  6. High-Throughput Computation of Thermal Conductivity of High-Temperature Solid Phases: The Case of Oxide and Fluoride Perovskites

    Physical Review X · 2016-12-21

    Ambroise van Roekeghem, Jesús Carrete, Corey Oses, Stefano Curtarolo, Natalio Mingo

    Read original paper ↗ ·

  7. An alkaline tin(II) halide compound Na 3 Sn 2 F 6 Cl: Synthesis, structure, and characterization

    Journal of Solid State Chemistry · 2017-02-01

    Pifu Gong, Siyang Luo, Qian Huang, Yi Jin Yang, Xingxing Jiang, Fei Liang, Chuangtian Chen, Zheshuai Lin

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  8. First-principle studies of the optoelectronic properties of ASnF3 (A = Na, K, Rb and Cs)

    International Journal of Modern Physics B · 2017-04-04

    Imad Khan, Nasir Shehzad, Iftikhar Ahmad, Zahid Ali, S. Jalali-Asadabadi

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  9. Fluorine ion induced phase evolution of tin-based perovskite thin films: structure and properties

    RSC Advances · 2019-01-01

    Junsheng Wu, Fang Fang, Zhuo Zhao, Tong Li, Rizwan Ullah, Zhe Lv, Yanwen Zhou, David A. G. Sawtell

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  10. Utilizing an In Situ Reduction in the Synthesis of BaMoOF5

    Journal of Chemical Crystallography · 2019-01-02

    Justin B. Felder, Mark D. Smith, Hans‐Conrad zur Loye

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  11. Serendipitous formation of K15NaSn5F36

    Zeitschrift für Naturforschung B · 2020-02-02

    Christiane Stoll, David van Gerven, Hubert Huppertz

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  12. Tin(II)-Induced Large Birefringence Enhancement in Metal Phosphates

    Inorganic Chemistry · 2021-09-27

    Mengya Ji, Chun‐Li Hu, Zhi Gang Fang, Yan Chen, Jiang‐Gao Mao

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  13. The Lithium Iodostannate LiSn3I7: Synthesis, Properties and its Relationship to SnI2

    European Journal of Inorganic Chemistry · 2021-11-15

    Manuel Löber, Markus Ströbele, Klaus Eichele, Carl P. Romao, Hans‐Jürgen Meyer

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  14. Quantum mechanical simulation of various phases of KVF3 perovskite

    Journal of Physics Condensed Matter · 2022-04-21

    Khaled E. El‐Kelany, Fabien Pascale, Alexander Platonenko, Anna Maria Ferrari, Roberto Dovesi

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  15. The study of optical and thermoelectric behaviour of thalium based flouropervoskite (TlSiF3) for photovoltaic and renewable energy applications by DFT

    Journal of Solid State Chemistry · 2022-05-31

    Rahul Yadav, Anshuman Srivastava, Ramesh Sharma, Jisha Annie Abraham, Sajad Ahmad Dar, Abhishek Kumar Mishra, Vipul Srivastava

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  16. The Tetrel Bond and Tetrel Halide Perovskite Semiconductors

    International Journal of Molecular Sciences · 2023-04-03

    Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques, Koichi Yamashita

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  17. Synergy of 3D and 2D Perovskites for Durable, Efficient Solar Cells and Beyond

    Chemical Reviews · 2023-07-10

    Isaac Metcalf, Siraj Sidhik, Hao Zhang, Ayush Agrawal, Jessica H. Persaud, Jin Hou, Jacky Even, Aditya D. Mohite

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  18. Rational Design of the Alkali Metal Sn‐Based Mixed Halides with Large Birefringence and Wide Transparent Range

    Small · 2023-12-15

    Jun-Bo Wang, Mengmeng Zhu, Yaoqing Chu, Jindan Tian, Lili Liu, Bingbing Zhang, P. Shiv Halasyamani

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  19. High-entropy alloy screening for halide perovskites

    Materials Horizons · 2024-01-01

    Christopher P. Muzzillo, Cristian V. Ciobanu, David T. Moore

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  20. DFT Investigation of Structural Stability, Optical Properties, and PCE for All-Inorganic Csx(Pb/Sn)yXz Halide Perovskites

    Inorganic Chemistry · 2024-02-08

    Bo Zhang, Guanghui Lei, Shuyue You, Wei Zhao, Hongli Liu

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  21. Investigation of structure, optoelectronic, and thermodynamic properties of gallium-based perovskites GaMF3 (M = Ca, and Cd) for solar cell applications

    Optical and Quantum Electronics · 2024-09-03

    Syed Hatim Shah, Muhammad Arif, Muhammad Tauseef Qureshi, Akif Safeen, Shams u Zaman, Iqtidar Ahmad, Ihtisham Ghani, Muhammad Naqeeb Ahmad, Rawaid Ali, Mahmoud Al Elaimi, Lubna Aamir, Jiansheng Lu, Junaid Riaz

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  22. Potential of titanium mixed-halide perovskites, Cs2TiBr2I4, as a light harvester in solar cells

    Emergent Materials · 2024-09-05

    Sameen Aslam, Marzaini Rashid, M.R. Hashim, Mohd Zamir Pakhuruddin, Suhana Arshad, Siti Azrah Mohamad Samsuri

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  23. A-Site Cation Chemistry in Halide Perovskites

    Chemistry of Materials · 2024-10-23

    Matthew P. Hautzinger, Willa Mihalyi‐Koch, Song Jin

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  24. First-principles study of structural, electronic and optical properties of non-toxic RbBaX 3 (X = F, Cl, Br, I) perovskites under hydrostatic pressure

    Materials Science in Semiconductor Processing · 2024-11-16

    Pranti Saha, In Jun Park, Protik Das, Fariborz Kargar

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  25. A DFT Manifestation of the physical, thermodynamic and thermoelectric properties in Sn-based halide perovskites

    Inorganic Chemistry Communications · 2024-11-21

    Nazia Iram, Ramesh Sharma, Javed Ahmad, Abhinav Kumar, Aman Kumar, Fahad N. Almutairi, Huriyyah A. Alturaifi

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  26. Modulating physical properties of ASnF3 (A = K, Rb) perovskites under pressure: Insights for enhanced optoelectronic performance via first-principles

    Results in Materials · 2025-07-31

    Md N.J. Rifat, Mohammad Nazmul Hasan, Jahid Kabir Rony, Md. Minhajul Islam, Md Murshidul Islam, Md Saiduzzaman, Minhajul Islam, Minhajul Islam

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  27. Pressure-tunable optoelectronic and photovoltaic properties of lead-free ZnAgF3 and ZnAg(F0.5Cl0.5)3 Perovskites: A first-principles and device-level study

    Materials Chemistry and Physics · 2025-11-06

    Md. Azizur Rahman, Rifat Rafiu, Imtiaz Ahamed Apon, Md. Sakib Hasan Saikot, Istiak Ahmed Ovi, Noureddine Ali Elboughdiri, Mohamed Benghanem, Salem A. AlFaify, I.M. Ashraf, Hind Mohammed Albalawi

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  28. Polymorphism of BaTeO 3 under High Pressure: Single-Crystal Structure Analysis and Characterization of HP-BaTeO 3

    Crystal Growth & Design · 2026-01-22

    Benjamin J. Pullicino, Stefan Schwarzmüller, Günter Heymann

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  29. First principles study of CsSnX3 (X = Cl, F) lead-free inorganic halide perovskites: Structural and electronic properties

    Journal of Solid State Chemistry · 2026-06-02

    Tamara Škundrić, Jelena Zagorac, Milan Pejić, Aleksa Luković, Dejan Zagorac

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