کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
7833033 | 1503516 | 2018 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Enhanced photocatalytic activity of nonmetal doped monolayer MoSe2 by hydrogen passivation: First-principles study
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Using first-principle calculations, we have systematically investigated the enhancement of photocatalytic activity in nonmetal (NM) (B, C, Si, N, P and As) doped monolayer MoSe2 after hydrogen (H) passivation. We have found that incorporation of the NM atoms into MoSe2 will be easier in the presence of H. Moreover, H-passivation can enhance the photocatalytic activity of doped MoSe2 by suppressing the recombination of photogenerated electron/hole pairs and increasing the reduction ability of photogenerated electrons, especially in C-2H doped MoSe2. This work provides a useful guidance of H passivation, since H is abundant in the processing or application environment and its interaction with NM acceptors is inevitable.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 456, 31 October 2018, Pages 133-139
Journal: Applied Surface Science - Volume 456, 31 October 2018, Pages 133-139
نویسندگان
Yafei Zhao, Wei Wang, Can Li, Yizhe Sun, Huanfeng Xu, Jian Tu, Jiai Ning, Yongbing Xu, Liang He,