Song, Z., Yi, J., Qi, J., Zheng, Q., Zhu, Z., Tao, L., Cao, Y., Li, Y., Gao, Z., Zhang, R., Huang, L., Li, G., Xu, Z., Wu, X., Wang, Y., Shen, C., Zhang, Y. Y., Lu, H., Lin, X., ... Gao, H. J. (2022). Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity. Nano Research, 15(5), 4687-4692. https://doi.org/10.1007/s12274-021-4002-y
Song, Zhipeng ; Yi, Juxia ; Qi, Jing et al. / Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity. In: Nano Research. 2022 ; Vol. 15, No. 5. pp. 4687-4692.
@article{09b90b5fd6f34b26b09603255d8baf9d,
title = "Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity",
abstract = "Two-dimensional (2D) materials with defects are desired for catalysis after the adsorption of monodispersed noble metal atoms. High-performance catalysts with the absolute value of Gibbs free energy (∣∆GH∣) close to zero, is one of the ultimate goals in the catalytic field. Here, we report the formation of monolayer titanium selenide (TiSe2) with line defects. The low-temperature scanning tunneling microscopy/spectroscopy (STM/S) measurements revealed the structure and electronic states of the line defect. Density functional theory (DFT) calculation results confirmed that the line defects were induced by selenium vacancies and the STM simulation was in good agreement with the experimental results. Further, DFT calculations show that monolayer TiSe2 with line defects have good catalytic activity for hydrogen evolution reaction (HER). If the defects are decorated with single Pt atom, the HER catalytic activity will be enhanced dramatically (∣∆GH∣ = 0.006 eV), which is much better than Pt metal (∣∆GH∣ = 0.09 eV). Line defects in monolayer TiSe2/Au(111) provide a wonderful platform for the design of high-performance catalysts. [Figure not available: see fulltext.]",
keywords = "density functional theory calculation, hydrogen evolution reaction, line defects, monolayer titanium selenide (TiSe), scanning tunneling microscope",
author = "Zhipeng Song and Juxia Yi and Jing Qi and Qi Zheng and Zhili Zhu and Lei Tao and Yun Cao and Yan Li and Zhaoyan Gao and Ruizi Zhang and Li Huang and Geng Li and Ziqiang Xu and Xu Wu and Yeliang Wang and Chengmin Shen and Zhang, {Yu Yang} and Hongliang Lu and Xiao Lin and Shixuan Du and Gao, {Hong Jun}",
note = "Publisher Copyright: {\textcopyright} 2021, Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature.",
year = "2022",
month = may,
doi = "10.1007/s12274-021-4002-y",
language = "English",
volume = "15",
pages = "4687--4692",
journal = "Nano Research",
issn = "1998-0124",
publisher = "Tsinghua University Press",
number = "5",
}
Song, Z, Yi, J, Qi, J, Zheng, Q, Zhu, Z, Tao, L, Cao, Y, Li, Y, Gao, Z, Zhang, R, Huang, L, Li, G, Xu, Z, Wu, X, Wang, Y, Shen, C, Zhang, YY, Lu, H, Lin, X, Du, S & Gao, HJ 2022, 'Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity', Nano Research, vol. 15, no. 5, pp. 4687-4692. https://doi.org/10.1007/s12274-021-4002-y
Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity. / Song, Zhipeng; Yi, Juxia; Qi, Jing et al.
In:
Nano Research, Vol. 15, No. 5, 05.2022, p. 4687-4692.
Research output: Contribution to journal › Article › peer-review
TY - JOUR
T1 - Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity
AU - Song, Zhipeng
AU - Yi, Juxia
AU - Qi, Jing
AU - Zheng, Qi
AU - Zhu, Zhili
AU - Tao, Lei
AU - Cao, Yun
AU - Li, Yan
AU - Gao, Zhaoyan
AU - Zhang, Ruizi
AU - Huang, Li
AU - Li, Geng
AU - Xu, Ziqiang
AU - Wu, Xu
AU - Wang, Yeliang
AU - Shen, Chengmin
AU - Zhang, Yu Yang
AU - Lu, Hongliang
AU - Lin, Xiao
AU - Du, Shixuan
AU - Gao, Hong Jun
N1 - Publisher Copyright:
© 2021, Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature.
PY - 2022/5
Y1 - 2022/5
N2 - Two-dimensional (2D) materials with defects are desired for catalysis after the adsorption of monodispersed noble metal atoms. High-performance catalysts with the absolute value of Gibbs free energy (∣∆GH∣) close to zero, is one of the ultimate goals in the catalytic field. Here, we report the formation of monolayer titanium selenide (TiSe2) with line defects. The low-temperature scanning tunneling microscopy/spectroscopy (STM/S) measurements revealed the structure and electronic states of the line defect. Density functional theory (DFT) calculation results confirmed that the line defects were induced by selenium vacancies and the STM simulation was in good agreement with the experimental results. Further, DFT calculations show that monolayer TiSe2 with line defects have good catalytic activity for hydrogen evolution reaction (HER). If the defects are decorated with single Pt atom, the HER catalytic activity will be enhanced dramatically (∣∆GH∣ = 0.006 eV), which is much better than Pt metal (∣∆GH∣ = 0.09 eV). Line defects in monolayer TiSe2/Au(111) provide a wonderful platform for the design of high-performance catalysts. [Figure not available: see fulltext.]
AB - Two-dimensional (2D) materials with defects are desired for catalysis after the adsorption of monodispersed noble metal atoms. High-performance catalysts with the absolute value of Gibbs free energy (∣∆GH∣) close to zero, is one of the ultimate goals in the catalytic field. Here, we report the formation of monolayer titanium selenide (TiSe2) with line defects. The low-temperature scanning tunneling microscopy/spectroscopy (STM/S) measurements revealed the structure and electronic states of the line defect. Density functional theory (DFT) calculation results confirmed that the line defects were induced by selenium vacancies and the STM simulation was in good agreement with the experimental results. Further, DFT calculations show that monolayer TiSe2 with line defects have good catalytic activity for hydrogen evolution reaction (HER). If the defects are decorated with single Pt atom, the HER catalytic activity will be enhanced dramatically (∣∆GH∣ = 0.006 eV), which is much better than Pt metal (∣∆GH∣ = 0.09 eV). Line defects in monolayer TiSe2/Au(111) provide a wonderful platform for the design of high-performance catalysts. [Figure not available: see fulltext.]
KW - density functional theory calculation
KW - hydrogen evolution reaction
KW - line defects
KW - monolayer titanium selenide (TiSe)
KW - scanning tunneling microscope
UR - http://www.scopus.com/inward/record.url?scp=85121372839&partnerID=8YFLogxK
U2 - 10.1007/s12274-021-4002-y
DO - 10.1007/s12274-021-4002-y
M3 - Article
AN - SCOPUS:85121372839
SN - 1998-0124
VL - 15
SP - 4687
EP - 4692
JO - Nano Research
JF - Nano Research
IS - 5
ER -
Song Z, Yi J, Qi J, Zheng Q, Zhu Z, Tao L et al. Line defects in monolayer TiSe2 with adsorption of Pt atoms potentially enable excellent catalytic activity. Nano Research. 2022 May;15(5):4687-4692. doi: 10.1007/s12274-021-4002-y
