Iodine capture of a two-dimensional layered uranyl–organic framework: a combined DFT and AIMD study
Mingyang Shi,
Kunyang Cheng,
Xiujuan Cheng
et al.
Abstract:To develop nuclear energy sustainably, it is important to effectively capture radioiodine in nuclear waste. In this study, we used density functional theory (DFT) and ab initio molecular dynamics (AIMD)...
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