CrystEngComm, 2025, Advance ArticleDOI: 10.1039/D5CE00096C, HighlightChih Shan TanThis work presents a data-driven framework that integrates HT computations and ML to accelerate materials discovery, enabling efficient feature extraction, structure–prop…
CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00161G, PaperYing-Ying Zhao, TianYu Pan, Jun-Hao Tang, Wei-Yang Wen, Zhi-Hua Chen, Shuang-Jiang Li, Chang Wei, Hai-Yan Sun, Qianqian Hu, Mei-Ling Feng, Xiao-Ying Huang90Sr, with a long half-life a…
CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00062A, PaperYuchao Du, Chaoyi Zhang, Shuting Cui, Guoping Li, Ning Tang, Bo Shen, Jun Xu, Huili Tang, Lijuan Zhaoβ-phase gallium oxide (β-Ga2O3) is an extra wide-bandgap semiconductor that has ga…
CrystEngComm, 2025, Advance ArticleDOI: 10.1039/D4CE01120A, PaperYi-Chen Guo, Xiao-Gang Liao, Qi Wu, Yu-Xuan Hao, Zi-Hao Wang, Wen-Yan Zhang, Yao-Yu WangAg2O was capped with tetradecanol. It is capable of decomposing at low temperatures and promotes de…
CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00134J, PaperRosa M F Baptista, Alejandro Pedro Ayala, Etelvina de Matos Gomes, M. Cidália R. Castro, Ana Vera Machado, Michael Belsley(Boc=tert-butoxycarbonyl)-p-nitro-L-phenylalanyl-p-nitro-L-p…
CrystEngComm, 2025, Advance ArticleDOI: 10.1039/D4CE00662C, PaperYining Sun, Guoguo Liu, Gang Xiong, Guangwen XuThe butterfly-shaped Yb4 compounds exhibited efficient catalytic activity for the cycloaddition of CO2 with epoxides under mild conditions.T…
CrystEngComm, 2025, Advance ArticleDOI: 10.1039/D4CE01238K, Paper Balendra, Mahboob Ali, Sanyukta, Sevi MurugavelTwo new coordination polymers, CPs [Cd2(FBA)2(DMA)2]·THF (1) and [Mg3(SBA)2(EtOH)2(H2O)2(μ3-OH)2]·DMA (2) have been synthesized, and their…
CrystEngComm, 2025, Advance ArticleDOI: 10.1039/D4CE01106F, PaperZhuofan Chen, Yuhao Chen, Youfa Jiang, Chenglin Liu, Jianguo YuThe reactive crystallization process of lithium carbonate (Li2CO3) in alkaline environments has been investigated with three…
CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D4CE01306A, PaperHuifang LiHuifang, Tingyu Liu, Wei Hong, Xv Lu, Jianghai WangThis study used DFT calculations to examine defect formation energy in potassium dihydrogen phosphate (KDP) with La substi…
CrystEngComm, 2025, Accepted ManuscriptDOI: 10.1039/D5CE00135H, Highlight Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Piotr Aleksander GuńkaArsenic(III) oxycompounds exhibit rich structural chemi…