Acta Phys. -Chim. Sin. ›› 2024, Vol. 40 ›› Issue (12): 2405005.doi: 10.3866/PKU.WHXB202405005
Special Issue: Solar fuel preparation
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Modulating NH2 Lewis Basicity in CTF-NH2 through Donor-Acceptor Groups for Optimizing Photocatalytic Water Splitting
Zhao Lu1, Hu Lv2, Qinzhuang Liu3, Zhongliao Wang3,*(
)
- 1 HKUST Shenzhen-Hong Kong Collaborative Innovation Research Institute, Shenzhen 518000, Guangdong Province, China
2 School of Construction Engineering, Shenzhen Polytechnic University, Shenzhen 518000, Guangdong Province, China
3 Anhui Province Industrial Generic Technology Research Center for Alumics Materials, Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, School of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000, Anhui Province, China
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Received:2024-05-07Revised:2024-05-27Accepted:2024-05-28Published:2024-06-04 -
Contact:Email: wangzl@chnu.edu.cn (Zhongliao Wang) -
Supported by:the Project of Hetao Shenzhen-Hong Kong Science and Technology Innovation Cooperation Zone(HZQB-KCZYB-2020083); Shenzhen Science and Technology Program(KCXFZ20211020163816023); Shenzhen Zhongdi Construction Engineering Co., Ltd. cooperation project(22100245); Key Research Project in Natural Sciences for Higher Education Institutions by the Ministry of Education(2022AH050396)
Cite this article
Zhao Lu, Hu Lv, Qinzhuang Liu, Zhongliao Wang. Modulating NH2 Lewis Basicity in CTF-NH2 through Donor-Acceptor Groups for Optimizing Photocatalytic Water Splitting[J]. Acta Phys. -Chim. Sin. 2024, 40(12), 2405005. doi: 10.3866/PKU.WHXB202405005
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Fig 1
Top and side perspective of crystal structure, (a) CTF-NH2, (b) C2H5-CTF-NH2, and (c) C2F5-CTF-NH2. Simulated (d) XRD pattern, (e) IR spectra, and (f) Raman spectra of CTFs."
Fig 1
Fig 2
(a) Simulated UV-Vis absorption spectra and (b) synchrotron XAS of the N K-edge of CTFs."
Fig 2
Fig 3
Band structure of (a) CTF-NH2, (b) C2H5-CTF-NH2 and (c) C2F5-CTF-NH2. The density of states (DOS) of (d) CTF-NH2, (e) C2H5-CTF-NH2 and (f) C2F5-CTF-NH2."
Fig 3
Fig 4
Top view of the VBM of (a) CTF-NH2, (b) C2H5-CTF-NH2 and (c) C2F5-CTF-NH2 and CBM of (d) CTF-NH2, (e) C2H5-CTF-NH2 and (f) C2F5-CTF-NH2."
Fig 4
Fig 5
Electrostatic potentials curves of the (a) CTF-NH2, (b) C2H5-CTF-NH2 and (c) C2F5-CTF-NH2. (d) Dipole moments on different components of CTFs. Surface electrostatic potential of (e) CTF-NH2, (f) C2H5-CTF-NH2 and (g) C2F5-CTF-NH2."
Fig 5
Fig 6
Free energy diagrams of the (a) HER (b) OER at 0 V and (c) OER at 1.23 V for CTFs. (d) Illustration of reaction path of HER and OER process for C2F5-CTF-NH2."
Fig 6
Fig 7
Top view of the charge density difference of (a) CTF-NH2, (b) C2H5-CTF-NH2 and (c) C2F5-CTF-NH2 adsorbed with O (Increased charge in yellow, decreased charge in cyan. Color online. The isosurface value is 2 × 10–4 e·Å–3.). Crystal orbital Hamilton population (COHP) of (d) CTF-NH2, (e) C2H5-CTF-NH2 and (f) C2F5-CTF-NH2."
Fig 7
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