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Does boron or nitrogen substitution affect hydrogen physisorption on open carbon surfaces?
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2022-11-15 , DOI: 10.1039/d2cp03975c Rylan Rowsey 1 , Erin E Taylor 1 , Ryan W Hinson 1 , Dalton Compton 1 , Nicholas P Stadie 1 , Robert K Szilagyi 2
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2022-11-15 , DOI: 10.1039/d2cp03975c Rylan Rowsey 1 , Erin E Taylor 1 , Ryan W Hinson 1 , Dalton Compton 1 , Nicholas P Stadie 1 , Robert K Szilagyi 2
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Incorporation of heteroatoms in carbon materials is commonly expected to influence their physical or chemical properties. However, contrary to previous results for methane adsorption, no technologically significant effect was identified for the hydrogen physisorption energies (measured 4.1–4.6 kJ mol−1 and calculated qst = −ΔHads = 4.1 ± 0.7 kJ mol−1 using a comprehensive set of levels of theory) as a function of B- and N-substitution of a mid-plane C-site on open carbon surfaces.
中文翻译：
硼或氮取代会影响开放碳表面上的氢物理吸附吗？
通常预计在碳材料中加入杂原子会影响它们的物理或化学性质。然而，与之前的甲烷吸附结果相反，没有发现氢物理吸附能具有技术上的显着影响（测量为 4.1–4.6 kJ mol -1并计算q st = -Δ H ads = 4.1 ± 0.7 kJ mol -1使用综合一组理论水平）作为开放碳表面上中平面 C 位点的 B 和 N 取代的函数。
更新日期：2022-11-15
中文翻译：
硼或氮取代会影响开放碳表面上的氢物理吸附吗？
通常预计在碳材料中加入杂原子会影响它们的物理或化学性质。然而，与之前的甲烷吸附结果相反，没有发现氢物理吸附能具有技术上的显着影响（测量为 4.1–4.6 kJ mol -1并计算q st = -Δ H ads = 4.1 ± 0.7 kJ mol -1使用综合一组理论水平）作为开放碳表面上中平面 C 位点的 B 和 N 取代的函数。
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