MnTiO3 as a carbon-free cathode for rechargeable Li–O2 batteries

Doaa Aasef Ahmed, Mustafa Çelik, Wernfried Mayr-Schmölzer, Abdulkadir Kızılaslan and Gregor B. Vonbun-Feldbauer

J. Mater. Chem. A, 2025, 13, 5252
DOI: 10.1039/D4TA05571C

Origin of positive/negative effects on pressure-dependent thermal conductivity: the role of bond strength and anharmonicity

Fang Lyu, Wei Cao, Han-Pu Liang, Tan Peng, Yue Hou, Xiaolu Zhu, Ling Miao, Ziyu Wang, Rui Xiong and Jing Shi

J. Mater. Chem. A, 2024, 12, 18452
DOI: 10.1039/D4TA02336F

High‐Throughput Strategies in the Discovery of Thermoelectric Materials

Tingting Deng, Pengfei Qiu, Tingwei Yin, Ze Li, Jiong Yang, Tianran Wei and Xun Shi

Advanced Materials, 2024, 36
DOI: 10.1002/adma.202311278

A multi-objective, multi-interpretable machine learning demonstration verified by domain knowledge for ductile thermoelectric materials

Xiangdong Wang, Yan Cao, Jialin Ji, Ye Sheng, Jiong Yang and Xuezhi Ke

Journal of Materiomics, 2025, 11, 100886
DOI: 10.1016/j.jmat.2024.04.011

Entropy Manipulation of SrTiO3 Perovskite for Enhanced Thermoelectric and Mechanical Properties

Hongxin Wang, Shanshan Xu, Tong’an Bu, Xinlei Wang, Panpan Lyu, Luchao Ren, Cuncheng Li, Mingwei Zhang and Wenyu Zhao

Inorg. Chem., 2024, 63, 24724
DOI: 10.1021/acs.inorgchem.4c03968

Substantially low thermal conductivity and high thermoelectric figure-of-merit in Bi-doped Sr2CoRuO6 double perovskites

Uzma Hira, Jan-Willem G. Bos, Syed Shahbaz Ali and Falak Sher

Journal of Alloys and Compounds, 2024, 984, 173981
DOI: 10.1016/j.jallcom.2024.173981

High-performance photothermal catalytic CO2 reduction to CH4 and CO by ABO3 (A = La, Ce; B = Ni, Co, Fe) perovskite nanomaterials

Shanhai Zhao, Yidan Luo, Chunhe Li, Kuankuan Ren, Yanyan Zhu and Weidong Dou

Ceramics International, 2023, 49, 20907
DOI: 10.1016/j.ceramint.2023.03.224

NaBeAs and NaBeSb: Novel Ternary Pnictides with Enhanced Thermoelectric Performance

Yuxin Cai, Muhammad Faizan, Xingchen Shen, Abdelazim M. Mebed, Tahani A. Alrebdi and Xin He

J. Phys. Chem. C, 2023, 127, 1733
DOI: 10.1021/acs.jpcc.2c07676

Semi-transparent perovskite building-integrated photovoltaic curtain walls with superior infrared transmittance for efficient energy generation and thermal management

Yan Cao, Bo Wang, Yifan Wu, Chenxi Wang, Xinzhao Zhang, Shudi Wang, Haozhou Huang, Xutao Yu, Ablimt Ali, Zhenqian Pang, Tengyao Jiang, Yanghua Lu and Gang Tan

Chemical Engineering Journal, 2025, 526, 170977
DOI: 10.1016/j.cej.2025.170977

Unraveling the relationships between heat-shielding properties and crystal structure using first-principles calculations

Tomohiro Yoshida

Computational Materials Science, 2023, 230, 112484
DOI: 10.1016/j.commatsci.2023.112484

High-throughput screening of room temperature active Peltier cooling materials in Heusler compounds

Huifang Luo, Xin Li, Yuxiang Wang, Yeqing Jin, Mingjia Yao and Jiong Yang

npj Comput Mater, 2022, 8
DOI: 10.1038/s41524-022-00887-4

Synthesis, Characterization, and Magnetic Properties of Uranium-Containing 2H-Perovskite-Related Sulfides: Ba3MUS6 (M = Mn, Fe, Co, Ni) and Ba3Co0.858(5)Mg0.142(5)US6

Logan S. Breton, Gregory Morrison and Hans-Conrad zur Loye

Inorg. Chem., 2023, 62, 17409
DOI: 10.1021/acs.inorgchem.3c02749

Theoretical Investigation of Lead Perovskite PbXO3 (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

Zosiamliana Renthlei, L. Celestine, Lalrin Kima, Lalhriat Zuala, Zodin Mawia, Bhanu Chettri, Yumnam Thakur Singh, Sherzod Abdullaev, Mohammed Ezzeldien and Dibya Prakash Rai

Energy Fuels, 2023, 37, 19831
DOI: 10.1021/acs.energyfuels.3c02797

High-throughput screening of potentially ductile and low thermal conductivity ABX3 (X = S, Se, Te) thermoelectric perovskites

Yan Cao, Shengnan Dai, Xiangdong Wang, Tianran Wei, Jiong Yang, Lili Xi, Zhenqian Pang and Gang Tan

Applied Physics Letters, 2024, 124
DOI: 10.1063/5.0188454

Studying supercapacitance and thermoelectric performance of semiconductor BaTiO3 along with its halfmetal alloy of BaTiFO2: A DFT+U investigation

Fatemeh Shirvani, Mohammad Reza Jafari and Aliasghar Shokri

Journal of Physics and Chemistry of Solids, 2024, 193, 112173
DOI: 10.1016/j.jpcs.2024.112173

PINK: physical-informed machine learning for lattice thermal conductivity

Yujie Liu, Xiaoying Wang, Yuzhou Hao, Xuejie Li, Jun Sun, Turab Lookman, Xiangdong Ding and Zhibin Gao

J. Mater. Inf., 2025, 5
DOI: 10.20517/jmi.2024.86

The MatHub‐3d first‐principles repository and the applications on thermoelectrics

Lu Liu, Mingjia Yao, Yuxiang Wang, Yeqing Jin, Jialin Ji, Huifang Luo, Yan Cao, Yifei Xiong, Ye Sheng, Xin Li, Di Qiu, Lili Xi, Jinyang Xi, Wenqing Zhang, Lidong Chen and Jiong Yang

Materials Genome Engineering Advances, 2024, 2
DOI: 10.1002/mgea.21