Authors
Chen Peng, Gan Luo, Junbo Zhang, Menghuan Chen, Zhiqiang Wang, Tsun-Kong Sham, Lijuan Zhang, Yafei Li, Gengfeng Zheng
Publication date
2021/3/11
Journal
Nature Communications
Volume
12
Issue
1
Pages
1580
Publisher
Nature Publishing Group UK
Description
Electrochemical CO2 reduction can produce valuable products with high energy densities but the process is plagued by poor selectivities and low yields. Propanol represents a challenging product to obtain due to the complicated C3 forming mechanism that requires both stabilization of *C2 intermediates and subsequent C1–C2 coupling. Herein, density function theory calculations revealed that double sulfur vacancies formed on hexagonal copper sulfide can feature as efficient electrocatalytic centers for stabilizing both CO* and OCCO* dimer, and further CO–OCCO coupling to form C3 species, which cannot be realized on CuS with single or no sulfur vacancies. The double sulfur vacancies were then experimentally synthesized by an electrochemical lithium tuning strategy, during which the density of sulfur vacancies was well-tuned by the charge/discharge cycle number. The double sulfur vacancy-rich CuS …
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