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| 1 | 氮掺杂Stone-Wales缺陷石墨烯吸附H_(2)S的密度泛函理论研究显示文摘利用密度泛函理论研究H_(2)S分子在氮掺杂Stone-Wales(SW)缺陷石墨烯上的吸附行为,通过吸附能、差分电荷密度、Bader电荷和电子态密度等分析了H_(2)S分子在SW缺陷石墨烯及氮掺杂SW缺陷石墨烯上的吸附差异。计算结果表明氮原子掺杂可以有效提升H_(2)S分子与石墨烯表面的相互作用,并加强二者之间的电荷转移。其中,氮原子主要作为电子传递的桥梁参与H_(2)S与石墨烯表面之间的电荷转移。H_(2)S分子被选择性吸附在SW缺陷及氮掺杂SW缺陷石墨烯的五元碳环中心处,这说明五元碳环的电荷分布促进H_(2)S分子的吸附行为。 | 马生贵 田博文 周雨薇 陈琳 江霞 高涛 | 2021 | 化工学报2021，72，9： | 1 |
| 2 | Research Progress on Photocatalytic/Photoelectrocatalytic Oxidation of Nitrogen Oxides显示文摘The emission of nitrogen oxides(NO_(x))increases year by year,causing serious problems to our livelihoods.The photocatalytic oxidation of NO_(x)has attracted more attention recently because of its effi cient removal of NO_(x),especially for low concentra-tions of NO_(x).In this review,the mechanism of the photocatalytic oxidation of NO_(x)is described.Then,the recent progress on the development of photocatalysts is reviewed according to the categories of inorganic semiconductors,bismuth-based compounds,nitrogen carbide polymer,and metal organic frameworks(MOFs).In addition,the photoelectrocatalytic oxida-tion of NO_(x),a method involving the application of an external voltage on the photocatalytic system to further increase the removal effi ciency of NO_(x),and its progress are summarized.Finally,we outline the remaining challenges and provide our perspectives on the future directions for the photocatalytic oxidation of NO_(x). | Shuangjun Li Linglong Chen Zhong Ma Guisheng Li Dieqing Zhang | 2021 | Transactions of Tianjin University2021，27，4： | 0 |
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