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RESEARCH PAPER · ACS Energy Letters · 2024

Computationally Guided Synthesis of Battery Materials

Nathan J. Szymanski, Christopher J. Bartel

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11 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-12 · complete coverage
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Computationally Guided Synthesis of Battery MaterialsOriginalSynthesis, Electronic Structure, and Redox Chemistry of Li 2 MnP 2 S 6 , a Candidate High-Voltage Cathode Material1Zero-Shot Discovery of High-Performance, Low-Cost Organic Battery Materials Using Machine Learning23Beyond lithium lanthanum titanate: metal-stable hafnium perovskite electrolytes for solid-state batteries0How to accelerate the inorganic materials synthesis: from computational guidelines to data-driven method?9Kinetic effects of ball-milling precursors on the synthesis pathway of KSbF40Electronic Structure Progression across the ACu 2 Q 2 (MQ 2 ) n Semiconductor Series3An integrated DFT–FDTD design of plasmon-enhanced lead-free CsSn x Ge 1− x I 3 perovskite LEDs0Fast Ionic Transport Governed by Collective Vibrational Dynamics2Process intensification in energy storage systems: Quantitative benefits, trade-offs and system-level challenges0Machine Learning Interatomic Potentials for Modeling Solid-State Batteries0Modeling Approaches for Polymer-Based Electrolytes in Advanced Batteries: Bridging Processing, Structure, and Performance0

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11 direct citing papers saved.

  1. Synthesis, Electronic Structure, and Redox Chemistry of Li 2 MnP 2 S 6 , a Candidate High-Voltage Cathode Material

    Chemistry of Materials · 2024-09-18

    Yi-Ting Cheng, Yuta Fujii, Yu Nomata, Madhulika Mazumder, Nataly Carolina Rosero‐Navarro, Aichi Yamashita, Yoshikazu Mizuguchi, Chikako Moriyoshi, Takato Mitsudome, Toshiaki Ina, Kiyofumi Nitta, Kiyoharu Tadanaga, AKIRA B. MIURA, Christopher J. Bartel

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  2. Zero-Shot Discovery of High-Performance, Low-Cost Organic Battery Materials Using Machine Learning

    Journal of the American Chemical Society · 2024-11-01

    Jaehyun Park, Farshud Sorourifar, Madhav Reddy Muthyala, Abigail M. Houser, Madison R. Tuttle, Joel A. Paulson, Shiyu Zhang

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  3. Beyond lithium lanthanum titanate: metal-stable hafnium perovskite electrolytes for solid-state batteries

    EES batteries. · 2025-01-01

    Ahmed H. Biby, Basant A. Ali, Charles B. Musgrave

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  4. How to accelerate the inorganic materials synthesis: from computational guidelines to data-driven method?

    National Science Review · 2025-02-27

    Yilei Wu, Xiangyang Li, Rong Guo, Rui Xu, Ming‐Gang Ju, Jinlan Wang

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  5. Kinetic effects of ball-milling precursors on the synthesis pathway of KSbF4

    Ceramics International · 2025-05-09

    Ryuku Hisasue, Tack Saquai, Tom Ichibha, Yuta Fujii, Aichi Yamashita, Kenta Hongo, Ryo Maezono, Kiyoharu Tadanaga, Akira Miura

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  6. Electronic Structure Progression across the ACu 2 Q 2 (MQ 2 ) n Semiconductor Series

    Journal of the American Chemical Society · 2025-12-26

    Michael A. Viti, Zhi Li, Stephen S. Kao, Chris M. Wolverton, Mercouri G. Kanatzidis

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  7. An integrated DFT–FDTD design of plasmon-enhanced lead-free CsSn x Ge 1− x I 3 perovskite LEDs

    Materials Advances · 2026-01-01

    Shoumik Debnath, Sudipta Saha, Khondokar Zahin, Ying Y. Tsui, Md Zahurul Islam

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  8. Fast Ionic Transport Governed by Collective Vibrational Dynamics

    Physical Review Letters · 2026-02-19

    Yixin Xu, Xing Xiang, Zhigang Li, Yanglong Lu, Yanguang Zhou

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  9. Process intensification in energy storage systems: Quantitative benefits, trade-offs and system-level challenges

    Chemical Engineering and Processing - Process Intensification · 2026-07-02

    Juan Gabriel Segovia‐Hernández, Salvador Hernández, Enrique Cossio-Vargas, Maricruz Juárez-García, Jesús Manuel Núñez-López, Eduardo Sánchez‐Ramírez

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  10. Machine Learning Interatomic Potentials for Modeling Solid-State Batteries

    Chemistry of Materials · 2026-09-28

    Mgcini Keith Phuthi, Grace Wei, Bryant Y. Li, Sauradeep Majumdar, Venkata Surya Chaitanya Kolluru, Nitesh Kumar, Samuel M. Blau, Pieremanuele Canepa, Maria K. Y. Chan, Rafael Gómez‐Bombarelli, Kristin Aslaug Persson, Gerbrand Ceder, Shyue Ping Ong

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  11. Modeling Approaches for Polymer-Based Electrolytes in Advanced Batteries: Bridging Processing, Structure, and Performance

    ACS Energy Letters · 2026-10-02

    Ying Zhang, Pei Sun, Giuseppe Antonio Elia, Alejandro A. Franco, Claudio Gerbaldi

    Read original paper ↗ ·
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