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Yi-Xian Liu

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Sep 2026

Interfacial electron redistribution in a TiO2/Mn3O4 hollow heterostructure for selective photocatalytic CO2-to-CO conversion.

Selective photocatalytic CO2-to-CO conversion remains challenging because of rapid charge recombination and insufficient CO2 activation. Herein, a TiO2/Mn3O4 hollow heterostructure was constructed through a SiO2 hard-template strategy combined with in situ growth. The hollow hemispherical architecture provides an open...

Yuan-Yuan Cheng, Xin-Yue Zhang, Jing-Wen Yu et al. · 0 citations
Review Oct 2026

A brief review of orbital-free density functional theory methods: the fundamental and unique branches.

First-principles calculations play a pivotal role in contemporary chemical studies. The most commonly employed algorithms are based on density functional theory (DFT), and in certain instances, the Hartree-Fock method is also utilized. Although these two methods can efficiently yield accurate results for small-to-mediu...

Yi-Xian Liu, Zhen-Hui Kang · 0 citations

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