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RESEARCH PAPER · npj Computational Materials · 2021

Accelerated discovery of a large family of quaternary chalcogenides with very low lattice thermal conductivity

Koushik Pal, Yi Xia, Jiahong Shen, Jiangang He, Yubo Luo, Mercouri G. Kanatzidis, Chris M. Wolverton

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Accelerated discovery of a large family of quaternary chalcogenides with very low lattice thermal conductivityOriginalReactive molten-flux assisted syntheses of single crystals of Cs 19 Ln 19 Mn 10 Te 48 (Ln = Pr and Gd) crystallizing in a new structure type4Exploring low lattice thermal conductivity materials using chemical bonding principles2Accelerated Discovery and Design of Ultralow Lattice Thermal Conductivity Materials Using Chemical Bonding Principles140Chalcogen dependent metal vacancies and disorder in Ba2Ln1−Mn2−S5 and Ba2−Ln1−Mn2−Se5 (Ln = Pr, Nd, and Gd) structures5Quaternary Selenides EuLnCuSe3: Synthesis, Structures, Properties and In Silico Studies29Scale-invariant machine-learning model accelerates the discovery of quaternary chalcogenides with ultralow lattice thermal conductivity39Insights into Low Thermal Conductivity in Inorganic Materials for Thermoelectrics202Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means11Reflections on one million compounds in the open quantum materials database (OQMD)49Anisotropic Chalcogenide Perovskite CaZrS3: A Promising Thermoelectric Material46Identification of high-dielectric constant compounds from statistical design14Transuranium Sulfide via the Boron Chalcogen Mixture Method and Reversible Water Uptake in the NaCuTS3 Family21Theoretical Study of Ba2X6 (X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning4ACuZrQ 3 (A = Rb, Cs; Q = S, Se, Te): Direct Bandgap Semiconductors and Metals with Ultralow Thermal Conductivity29Structural and Electronic Properties of Cu3InSe43A Challenge toward Novel Quaternary Sulfides SrLnCuS3 (Ln = La, Nd, Tm): Unraveling Synthetic Pathways, Structures and Properties19Artificial intelligence for materials research at extremes20Elucidating elusive quaternary selenide EuCeCuSe3: Synthesis, crystal structure, properties and theoretical studies17Elucidating a Series of the Quaternary Selenides Barecuse3 with a Rich Library of Optical Properites1Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe 3 and EuLuCuTe 36Sr(Ag 1− x Li x ) 2 Se 2 and [Sr 3 Se 2 ][(Ag 1− x Li x ) 2 Se 2 ] Tunable Direct Band Gap Semiconductors5Sr(Ag1−xLix)2Se2 and [Sr3Se2][(Ag1−xLix)2Se2] Tunable Direct Band Gap Semiconductors0Synthesis, Crystal Structure and Properties of the New Laminar Quaternary Tellurides SrLnCuTe3 (Ln = Sm, Gd–Tm and Lu)11Single Crystals of EuScCuSe3: Synthesis, Experimental and DFT Investigations5High-throughput study and machine learning on MAX and MAB phases: new materials and fingerprints of superior lattice thermal conductivities42Structure-property relationships and DFT studies of three quaternary chalcogenides: BaCeCuSe3, BaCeAgS3, and BaCeAgSe327Unravelling the rare-earth (RE) element-induced magnetic and optical properties in the structures of quaternary selenides SrRECuSe320Unlocking phonon properties of a large and diverse set of cubic crystals by indirect bottom-up machine learning approach30Electronic and Thermal Properties of the Cation Substitution-Derived Quaternary Chalcogenide CuInSnSe 410A first-principles study of ternary metal chalcogenides Ba2MnX3 (X=Te,Se,S) for efficient thermoelectric applications empowered by machine-learning interatomic potential12End-to-end material thermal conductivity prediction through machine learning21Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights9Hidden structures: a driving factor to achieve low thermal conductivity and high thermoelectric performance72Preparation of Multicomponent Oxide Charges for the Synthesis of Rare Earth Layered Selenides0Unraveling essential optoelectronic and thermoelectric excellence in CsZrCuSe3 with hybrid functional and Boltzmann transport insights10Elucidating a Series of the Quaternary Selenides BaRECuSe3 with a Rich Library of Optical Properties10Preparation of multicomponent rare earth based oxide charges2Synergistic role of Sn-doping on the thermal and electrical properties of sinnerite Cu6As4S90Diffusion dominant thermal transport in mixed valent Ba4Sn4Se93First-principles calculations to investigate optical, phonon and electronic properties of quaternary sulfides SrRECuS3 (RE = La, Nd, Tm)10Structure Low Dimensionality and Lone-Pair Stereochemical Activity: the Key to Low Thermal Conductivity in the Pb–Sn–S System57Experimental and Theoretical Insights on the Structural, Electronic, and Magnetic Properties of the Quaternary Selenides EuPrCuSe3 and EuNdCuSe33Synthesis, Crystal Structure, and Optical and Magnetic Properties of the New Quaternary Erbium Telluride EuErCuTe3: Experiment and Calculation5Regularity of thermal characteristics, thermoelectric properties of EuLnCuSe3 compounds (Ln = La–Lu)2Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials14Applications of machine‐learning interatomic potentials for modeling ceramics, glass, and electrolytes: A review38Landscape of Thermodynamic Stabilities of A2BB′O6 Compounds15Syntheses and Patterns of Changes in Structural Parameters of the New Quaternary Tellurides EuRECuTe3 (RE = Ho, Tm, and Sc): Experiment and Theory4Structure and disorder resulting in ultralow thermal conductivity in the defect chalcopyrite AgInSnSe44Antibonding valence states induce low lattice thermal conductivity in metal halide semiconductors27Combining machine-learning models with first-principles high-throughput calculations to accelerate the search for promising thermoelectric materials16Ultralow Thermal Conductivity Approaching the Disordered Limit in Crystalline TlCuZrSe311Application of neutron scattering to studying low lattice thermal conductivity of Zintl phase compounds3A photodetector based on the non-centrosymmetric 2D pseudo-binary chalcogenide MnIn 2 Se 46Wide-ranging predictions of new stable compounds powered by recommendation engines12Theoretical and Experimental Studies of the Structural Chameleon EuYCuTe34Advances in theory and computational methods for next-generation thermoelectric materials9Mechanisms and design principles for optimizing lattice thermal conductivity in chalcogenides: A comprehensive review7Theoretical Insights and Experimental Studies of the New Layered Tellurides EuRECuTe3 with RE = Nd, Sm, Tb and Dy3Strong acoustic phonon suppression leads to ultralow thermal conductivity and enhanced thermoelectric performance in Ba Cu Gd Te 32Exploring the electronic, optical, and thermoelectric properties of novel CsLaMTe3 (M = Cd, Zn) materials for sustainable energy harvesting4Concerted rattling-induced strong anharmonicity and phonon coherence lead to ultralow glasslike thermal conductivity in TlAgTe5Cu-substitution-driven orbital and phonon engineering breaks the thermoelectric trade-off in n-type Fe 2 VAl-based alloys0The thermoelectric properties of two-dimensional Janus BiSeX materials: A first-principles study2Structural evolution and photovoltaic band gaps in the EuREAgS3 series (RE = Tb, Dy, Ho, Tm, Yb)0ACu3TlSe4 (A = Mg, Ca, Sr, Ba): a comprehensive DFT analysis of physical properties1From Sc to Y in CaCu3MSe4: Bonding reorganization, band-edge alignment, and transport tunability from first principles4Data-driven discovery of high-performance quaternary chalcogenide photovoltaics1A new quaternary sulfide semiconductor β-EuLuAgS3 with a photovoltaic-relevant band gap0Atomistic origin of low thermal conductivity in quaternary chalcogenides Cu(Cd, Zn) 2 InTe 40Synthesis and Crystal structure of CsLnZnS3 (Ln= Ce, Pr, Nd, Sm, Gd, Tb, Ho)1Structural origins of the thermal properties of Ba2BiInSe50Electrophysical and thermal properties of compounds SrLnCuSe3 (Ln = Sm, Er, Yb) and EuErCuSe30Structure–Optical Property Relationships in AMM′Q 3 Chalcogenides0Synthesis, Structural Model, and Optical Properties of Rb3Ln3Zn2S8 (Ln = Eu, Gd, Ho) and Cs0.88Rb2.12Tb3Zn2S80

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  1. Reactive molten-flux assisted syntheses of single crystals of Cs 19 Ln 19 Mn 10 Te 48 (Ln = Pr and Gd) crystallizing in a new structure type

    CrystEngComm · 2021-01-01

    Gopabandhu Panigrahi, Subhendu Jana, S. Narayanswamy, P.P. Bhattacharjee, Manish K. Niranjan, Jai Prakash

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  2. Exploring low lattice thermal conductivity materials using chemical bonding principles

    arXiv (Cornell University) · 2021-07-11

    Jiangang He, Yi Xia, Wenwen Lin, Koushik Pal, Yizhou Zhu, Mercouri G. Kanatzidis, Chris M. Wolverton

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  3. Accelerated Discovery and Design of Ultralow Lattice Thermal Conductivity Materials Using Chemical Bonding Principles

    Advanced Functional Materials · 2021-12-17

    Jiangang He, Yi Xia, Wenwen Lin, Koushik Pal, Yizhou Zhu, Mercouri G. Kanatzidis, Chris M. Wolverton

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  4. Chalcogen dependent metal vacancies and disorder in Ba2Ln1−Mn2−S5 and Ba2−Ln1−Mn2−Se5 (Ln = Pr, Nd, and Gd) structures

    Journal of Alloys and Compounds · 2022-01-05

    Gopabandhu Panigrahi, Subhendu Jana, Mohd Ishtiyak, Bikash Tripathy, Sairam K. Malladi, Manish K. Niranjan, Jai Prakash

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  5. Quaternary Selenides EuLnCuSe3: Synthesis, Structures, Properties and In Silico Studies

    International Journal of Molecular Sciences · 2022-01-28

    Maxim V. Grigoriev, Leonid A. Solovyov, Аnna V. Ruseikina, Aleksandr S. Aleksandrovsky, V. A. Chernyshev, Д. А. Великанов, Alexander A. Garmonov, Мaxim S. Моlokeev, Aleksandr S. Oreshonkov, Nikolay P. Shestakov, Alexey V. Matigorov, Svetlana S. Volkova, Evgeniy A. Ostapchuk, Alexander V. Kertman, Thomas Schleid, Damir Amirovich Safin

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  6. Scale-invariant machine-learning model accelerates the discovery of quaternary chalcogenides with ultralow lattice thermal conductivity

    npj Computational Materials · 2022-03-24

    Koushik Pal, Cheol Woo Park, Yi Xia, Jiahong Shen, Chris M. Wolverton

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  7. Insights into Low Thermal Conductivity in Inorganic Materials for Thermoelectrics

    Journal of the American Chemical Society · 2022-06-02

    Tanmoy Ghosh, Moinak Dutta, Debattam Sarkar, Kanishka Biswas

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  8. Examination of a Structural Preference in Quaternary Alkali-Metal (A) Rare-Earth (R) Copper Tellurides by Combining Experimental and Quantum-chemical Means

    Inorganic Chemistry · 2022-06-06

    Fabian C. Gladisch, Thomas Pippinger, Jens Meyer, Julian Pries, Jens Richter, Simon Steinberg

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  9. Reflections on one million compounds in the open quantum materials database (OQMD)

    Journal of Physics Materials · 2022-06-23

    Jiahong Shen, Sean D. Griesemer, Abhijith Gopakumar, Bianca Baldassarri, James E. Saal, Muratahan Aykol, Vinay I. Hegde, Chris M. Wolverton

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  10. Anisotropic Chalcogenide Perovskite CaZrS3: A Promising Thermoelectric Material

    The Journal of Physical Chemistry C · 2022-07-05

    Xiefei Song, Xuxia Shai, Shukang Deng, Jinsong Wang, Jie Li, Xinru Ma, Xiaorui Li, Tingting Wei, Weina Ren, Lei Gao, Yunchang Fu, Hua Wang, Chunhua Zeng

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  11. Identification of high-dielectric constant compounds from statistical design

    npj Computational Materials · 2022-07-07

    Abhijith Gopakumar, Koushik Pal, Chris M. Wolverton

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  12. Transuranium Sulfide via the Boron Chalcogen Mixture Method and Reversible Water Uptake in the NaCuTS3 Family

    Journal of the American Chemical Society · 2022-07-21

    Anna A. Berseneva, Vladislav V. Klepov, Koushik Pal, Kelly Seeley, Daniel Koury, Joseph C. Schaeperkoetter, Joshua Wright, Scott T. Misture, Mercouri G. Kanatzidis, Chris M. Wolverton, Artem V. Gelis, Hans‐Conrad zur Loye

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  13. Theoretical Study of Ba2X6 (X = S, Se, Te) for Thermoelectric Applications Based on First-Principles Calculations and Machine Learning

    The Journal of Physical Chemistry C · 2022-07-26

    Ziyu Hu, Wenjie Wu, Qitean Wang, Xiaohong Shao

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  14. ACuZrQ 3 (A = Rb, Cs; Q = S, Se, Te): Direct Bandgap Semiconductors and Metals with Ultralow Thermal Conductivity

    Chemistry of Materials · 2022-09-14

    Craig C. Laing, Benjamin E. Weiss, Koushik Pal, Michael A. Quintero, Hongyao Xie, Xiuquan Zhou, Jiahong Shen, Duck Young Chung, Christopher Wolverton, Mercouri G. Kanatzidis

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  15. Structural and Electronic Properties of Cu3InSe4

    Crystals · 2022-09-17

    Oluwagbemiga P. Ojo, Winnie Wong-Ng, Tieyan Chang, Yu‐Sheng Chen, George S. Nolas

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  16. A Challenge toward Novel Quaternary Sulfides SrLnCuS3 (Ln = La, Nd, Tm): Unraveling Synthetic Pathways, Structures and Properties

    International Journal of Molecular Sciences · 2022-10-18

    Аnna V. Ruseikina, Maxim V. Grigoriev, Leonid A. Solovyov, V. A. Chernyshev, Aleksandr S. Aleksandrovsky, А. С. Крылов, S. N. Krylova, N. P. Shestakov, Д. А. Великанов, Alexander A. Garmonov, Alexey V. Matigorov, Marcel A. Eberle, Thomas Schleid, Damir Amirovich Safin

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  17. Artificial intelligence for materials research at extremes

    MRS Bulletin · 2022-11-01

    Benji Maruyama, Jason R. Hattrick-Simpers, William D. Musinski, Lori L. Graham-Brady, Kang Li, Jonathan D. Hollenbach, A. Singh, Mitra L. Taheri

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  18. Elucidating elusive quaternary selenide EuCeCuSe3: Synthesis, crystal structure, properties and theoretical studies

    Journal of Rare Earths · 2022-11-13

    Maxim V. Grigoriev, Аnna V. Ruseikina, Мaxim S. Моlokeev, V. A. Chernyshev, Aleksandr S. Aleksandrovsky, А. С. Крылов, S. N. Krylova, N. P. Shestakov, Dmitriy A. Velikanov, Alexander A. Garmonov, Alexey V. Matigorov, Evgeny A. Ostapchuk, Thomas Schleid, Damir Amirovich Safin

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  19. Elucidating a Series of the Quaternary Selenides Barecuse3 with a Rich Library of Optical Properites

    SSRN Electronic Journal · 2023-01-01

    Аnna V. Ruseikina, Anna N. Pinigina, Maxim V. Grigoriev, Damir Amirovich Safin

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  20. Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe 3 and EuLuCuTe 3

    CrystEngComm · 2023-01-01

    Аnna V. Ruseikina, Maxim V. Grigoriev, Alexander A. Garmonov, Мaxim S. Моlokeev, Thomas Schleid, Damir Amirovich Safin

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  21. Sr(Ag 1− x Li x ) 2 Se 2 and [Sr 3 Se 2 ][(Ag 1− x Li x ) 2 Se 2 ] Tunable Direct Band Gap Semiconductors

    Angewandte Chemie International Edition · 2023-01-27

    Xiuquan Zhou, Brandon Wilfong, Xinglong Chen, Craig C. Laing, Indra Raj Pandey, Ying‐Pin Chen, Yu‐Sheng Chen, Duck Young Chung, Mercouri G. Kanatzidis

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  22. Sr(Ag1−xLix)2Se2 and [Sr3Se2][(Ag1−xLix)2Se2] Tunable Direct Band Gap Semiconductors

    Angewandte Chemie · 2023-01-27

    Xiuquan Zhou, Brandon Wilfong, Xinglong Chen, Craig C. Laing, Indra Raj Pandey, Ying‐Pin Chen, Yu‐Sheng Chen, Duck Young Chung, Mercouri G. Kanatzidis

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  23. Synthesis, Crystal Structure and Properties of the New Laminar Quaternary Tellurides SrLnCuTe3 (Ln = Sm, Gd–Tm and Lu)

    Crystals · 2023-02-09

    Аnna V. Ruseikina, Maxim V. Grigoriev, Мaxim S. Моlokeev, Alexander A. Garmonov, Andrey Vladimirovich Elyshev, Ralf J. C. Locke, Thomas Schleid

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  24. Single Crystals of EuScCuSe3: Synthesis, Experimental and DFT Investigations

    Materials · 2023-02-13

    Maxim V. Grigoriev, Аnna V. Ruseikina, V. A. Chernyshev, Aleksandr S. Oreshonkov, Alexander A. Garmonov, Мaxim S. Моlokeev, Ralf J. C. Locke, Andrey Vladimirovich Elyshev, Thomas Schleid

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  25. High-throughput study and machine learning on MAX and MAB phases: new materials and fingerprints of superior lattice thermal conductivities

    Acta Materialia · 2023-05-12

    Shaohan Li, Zening Yang, Rasoul Khaledialidusti, Shuai Lin, Jin Yu, Mohammad Khazaei, Jing Zhang, Litao Sun, Xin Li, Weiwei Sun

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  26. Structure-property relationships and DFT studies of three quaternary chalcogenides: BaCeCuSe3, BaCeAgS3, and BaCeAgSe3

    Materials Research Bulletin · 2023-08-02

    Omair Shahid, Akshay Kumar Ray, Sweta Yadav, Melepurath Deepa, Manish K. Niranjan, Jai Prakash

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  27. Unravelling the rare-earth (RE) element-induced magnetic and optical properties in the structures of quaternary selenides SrRECuSe3

    Inorganic Chemistry Communications · 2023-08-06

    Аnna V. Ruseikina, Maxim V. Grigoriev, Leonid A. Solovyov, Мaxim S. Моlokeev, Alexander A. Garmonov, Dmitriy A. Velikanov, Damir Amirovich Safin

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  28. Unlocking phonon properties of a large and diverse set of cubic crystals by indirect bottom-up machine learning approach

    Communications Materials · 2023-08-15

    Alejandro David Rodriguez, Changpeng Lin, Chen Shen, Kunpeng Yuan, Mohammed Al‐Fahdi, Xiaoliang Zhang, Hongbin Zhang, Ming Hu

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  29. Electronic and Thermal Properties of the Cation Substitution-Derived Quaternary Chalcogenide CuInSnSe 4

    Inorganic Chemistry · 2023-09-20

    Oluwagbemiga P. Ojo, Long Ma, Wilarachchige D. C. B. Gunatilleke, Andrew F. May, Lilia M. Woods, George S. Nolas

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  30. A first-principles study of ternary metal chalcogenides Ba2MnX3 (X=Te,Se,S) for efficient thermoelectric applications empowered by machine-learning interatomic potential

    Computational Materials Science · 2023-09-30

    Medha Rakshit, Suman Chowdhury, Arnab Majumdar, Dipali Banerjee, Debnarayan Jana

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  31. End-to-end material thermal conductivity prediction through machine learning

    Journal of Applied Physics · 2023-12-11

    Yagyank Srivastava, Ankit Jain

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  32. Synthesis, structure and properties of the novel quaternary selenide BaSmCuSe3: Experimental and theoretical insights

    Inorganic Chemistry Communications · 2023-12-14

    Аnna V. Ruseikina, Maxim V. Grigoriev, V. A. Chernyshev, Damir Amirovich Safin

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  33. Hidden structures: a driving factor to achieve low thermal conductivity and high thermoelectric performance

    Chemical Society Reviews · 2024-01-01

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  34. Preparation of Multicomponent Oxide Charges for the Synthesis of Rare Earth Layered Selenides

    SSRN Electronic Journal · 2024-01-01

    Аnna V. Ruseikina, Maxim V. Grigoriev, Damir Amirovich Safin

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  35. Unraveling essential optoelectronic and thermoelectric excellence in CsZrCuSe3 with hybrid functional and Boltzmann transport insights

    Results in Physics · 2024-01-28

    Souraya Goumri‐Said, Adil Ahmed Alshoaibi, Sikander Azam, R. Khenata, Bakhtiar Ul Haq, Md. Ferdous Rahman, Mohammed Benali Kanoun

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  36. Elucidating a Series of the Quaternary Selenides BaRECuSe3 with a Rich Library of Optical Properties

    Crystal Growth & Design · 2024-03-04

    Аnna V. Ruseikina, Anna N. Pinigina, Maxim V. Grigoriev, Damir Amirovich Safin

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  37. Preparation of multicomponent rare earth based oxide charges

    Inorganic Chemistry Communications · 2024-03-08

    Аnna V. Ruseikina, Maxim V. Grigoriev, Damir Amirovich Safin

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  38. Synergistic role of Sn-doping on the thermal and electrical properties of sinnerite Cu6As4S9

    Journal of Alloys and Compounds · 2024-04-12

    Oluwagbemiga P. Ojo, Wilarachchige D. C. B. Gunatilleke, Hsin Wang, George S. Nolas

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  39. Diffusion dominant thermal transport in mixed valent Ba4Sn4Se9

    Acta Materialia · 2024-04-13

    Wilarachchige D. C. B. Gunatilleke, Winnie Wong-Ng, Adam J. Biacchi, Teiyan Chang, Yu‐Sheng Chen, George S. Nolas

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  40. First-principles calculations to investigate optical, phonon and electronic properties of quaternary sulfides SrRECuS3 (RE = La, Nd, Tm)

    Inorganic Chemistry Communications · 2024-04-23

    V. A. Chernyshev, Аnna V. Ruseikina, Maxim V. Grigoriev, S. N. Krylova, Damir Amirovich Safin

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  41. Structure Low Dimensionality and Lone-Pair Stereochemical Activity: the Key to Low Thermal Conductivity in the Pb–Sn–S System

    Journal of the American Chemical Society · 2024-05-01

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  42. Experimental and Theoretical Insights on the Structural, Electronic, and Magnetic Properties of the Quaternary Selenides EuPrCuSe3 and EuNdCuSe3

    Inorganic Chemistry · 2024-05-06

    Maxim V. Grigoriev, Аnna V. Ruseikina, Alexander A. Garmonov, Ralf J. C. Locke, Filip Sagan, James Hooper, Mariusz P. Mitoraj, Thomas Schleid, Damir Amirovich Safin

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  43. Synthesis, Crystal Structure, and Optical and Magnetic Properties of the New Quaternary Erbium Telluride EuErCuTe3: Experiment and Calculation

    Materials · 2024-05-11

    Аnna V. Ruseikina, Maxim V. Grigoriev, Ralf J. C. Locke, V. A. Chernyshev, Alexander A. Garmonov, Thomas Schleid

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  44. Regularity of thermal characteristics, thermoelectric properties of EuLnCuSe3 compounds (Ln = La–Lu)

    The European Physical Journal Plus · 2024-05-15

    Navruzbek N. Habibullayev, Burkov A.T., С. В. Новиков, Ilya Olegovich Yurev, Aleksandr S. Aleksandrovsky, Alena D. Zakharova, Nikita А. Shulaev, Yuriy G. Denisenko, O.V. Andreev

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  45. Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials

    ACS Applied Materials & Interfaces · 2024-05-21

    Adolfo E. Rosado-Miranda, Víctor Posligua, Javier Fdez. Sanz, Antonio M. Márquez, Pinku Nath, José J. Plata

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  46. Applications of machine‐learning interatomic potentials for modeling ceramics, glass, and electrolytes: A review

    Journal of the American Ceramic Society · 2024-06-09

    Shingo Urata, Marco Bertani, Alfonso Pedone

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  47. Landscape of Thermodynamic Stabilities of A2BB′O6 Compounds

    Chemistry of Materials · 2024-06-28

    Yateng Wang, Bianca Baldassarri, Jiahong Shen, Jiangang He, Chris M. Wolverton

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  48. Syntheses and Patterns of Changes in Structural Parameters of the New Quaternary Tellurides EuRECuTe3 (RE = Ho, Tm, and Sc): Experiment and Theory

    Materials · 2024-07-09

    Аnna V. Ruseikina, Maxim V. Grigoriev, Ralf J. C. Locke, V. A. Chernyshev, Thomas Schleid

    Read original paper ↗ ·

  49. Structure and disorder resulting in ultralow thermal conductivity in the defect chalcopyrite AgInSnSe4

    Journal of Alloys and Compounds · 2024-08-08

    Oluwagbemiga P. Ojo, Wilarachchige D.C.B. Gunatilleke, Hsin Wang, George S. Nolas

    Read original paper ↗ ·

  50. Antibonding valence states induce low lattice thermal conductivity in metal halide semiconductors

    Applied Physics Reviews · 2024-10-28

    Mohammad Ubaid, Paribesh Acharyya, Suneet K. Maharana, Kanishka Biswas, Koushik Pal

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