Journal of Materiomics Open Access Editors-in-Chief: Jing-Feng Li, Samuel S. Mao, Cewen Nan
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Keyword: first-principles calculations
Research paper | Open Access
Ferromagnetic coupling in a two-dimensional Cairo pentagonal Ni2(TCNQ)2 lattice
Aizhu Wang, Hongguang Wang, Xiaopeng Wang, [...], Na Ren, Longhua Ding, Xin Yu, Mingwen Zhao << Fewer
Published: 25 November 2021
2022, 8 (3): 627-632
Research paper | Open Access
Screening for new thermoelectric material: A semiconducting TaS3 with nanoporous structure
Yangfan Cui, Xiaojun Wang, Shuai Duan, [...], Xin Chen, Xiaobing Liu << Fewer
Published: 25 February 2022
2022, 8 (5): 1031-1037
Research Article | Open Access
Superior piezoelectricity in lead-free barium titanate piezoceramics
Enpei Cai, Shiqiang Peng, Qibin Liu
Published: 07 October 2023
2024, 10 (3): 694-706
Research Article | Open Access
Atomic-level insights into the initial oxidation mechanism of high-entropy diborides by first-principles calculations
Yiwen Liu, Hulei Yu, Hong Meng, Yanhui Chu
Published: 02 August 2023
2024, 10 (2): 423-430
Research Article | Open Access
Clathrate structure of YB3C3 for high-performance thermoelectrics with superior mechanical properties
Yangfan Cui, Shuai Duan, Xiaojun Wang, [...], Qinghang Tang, Jinyang Xi, Xiaobing Liu, Yongsheng Zhang, Xin Chen << Fewer
Published: 16 October 2023
2024, 10 (4): 783-791
Research Article | Open Access
Intrinsic ferroelectrics and carrier doping-induced metallic multiferroics in an atomic wire
Tao Xu, Jingtong Zhang, Chunyu Wang, [...], Xiaoyuan Wang, Takahiro Shimada, Jie Wang, Hongxin Yang << Fewer
Published: 21 March 2023
2023, 9 (5): 892-898
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