MIL-100Cr 具有开放的 Cr 位，用于创纪录的 NO 捕获。
MIL-100Cr with open Cr sites for a record NO capture.
机构信息
Research Institute of Special Chemicals, College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China.
出版信息
Chem Commun (Camb). 2018 Dec 13;54(100):14061-14064. doi: 10.1039/c8cc07679k.
Abstract
Nitrous oxide (N2O) is considered as the third most important greenhouse gas after carbon dioxide and methane and needs to be removed from air. Herein, we reported the metal-organic framework MIL-100Cr with open Cr sites for record N2O capture capacities of 5.78 mmol g-1 at 298 K and 8.25 mmol g-1 at 273 K, respectively. DFT calculations showed that the static binding energy of N2O on the open-Cr site is notably higher than that of N2, 72.5 kJ mol-1vs. 51.6 kJ mol-1, which enforces MIL-100Cr to exhibit extremely high N2O/N2 ideal adsorbed solution theory (IAST) gas separation selectivity up to 1000.
摘要
氧化亚氮（N2O）被认为是仅次于二氧化碳和甲烷的第三重要温室气体，需要从空气中去除。在此，我们报道了具有开放 Cr 位的金属-有机骨架 MIL-100Cr，在 298 K 时具有创纪录的 5.78 mmol g-1 的 N2O 捕获容量，在 273 K 时具有 8.25 mmol g-1 的 N2O 捕获容量。密度泛函理论（DFT）计算表明，N2O 在开放-Cr 位上的静态结合能明显高于 N2，分别为 72.5 kJ mol-1和 51.6 kJ mol-1，这使得 MIL-100Cr 表现出极高的 N2O/N2 理想吸附溶液理论（IAST）气体分离选择性，高达 1000。
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