Nano Energy ( IF 16.8 ) Pub Date : 2019-07-31 , DOI: 10.1016/j.nanoen.2019.103954 Ke Wang , Dongyu Liu , Peilin Deng , Limin Liu , Shiyao Lu , Zongjie Sun , Yaming Ma , Yuankun Wang , Mingtao Li , Bao Yu Xia , Chunhui Xiao , Shujiang Ding
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Engineering heterojunction is an underlying strategy to develop remarkable electrocatalysts for carbon dioxide (CO2) reduction due to its ability to tune electronic properties by interfacial cooperation. Herein, we report a novel type of cube-like Zn2SnO4/SnO2 heterostructure catalyst for CO2 reduction through a simple co-precipitation process. The high-quality heterostructures with band alignment promote interfacial charge transfer from Zn2SnO4 to SnO2, achieving the electronic modulation of Zn2SnO4/SnO2 for reducing the kinetic barriers of CO2 reduction. Density functional theory further reveals that Zn2SnO4/SnO2 allows HCOO* intermediate favorably stabilizing on its surface through improved hydrogen coverage effect comparing to pure Zn2SnO4 or SnO2. The hybrid catalyst presents satisfactory CO2 reduction properties with a stable HCOOH selectivity of 77% during 24 h at −1.08 V vs. RHE. This study provides a new heterostructure modeling and general methodology for electronic modulation and electrocatalysts development for high-performance CO2 reduction.
中文翻译:
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Zn 2 SnO 4 / SnO 2异质结构中的能带对准可实现有效的CO 2电化学还原
工程异质结是一种开发卓越的电催化剂以减少二氧化碳(CO 2)的潜在策略,这是由于其通过界面合作调节电子性能的能力。在这里,我们报告了一种新型的立方状Zn 2 SnO 4 / SnO 2异质结构催化剂,可通过简单的共沉淀过程还原CO 2。带隙取向的高质量异质结构促进了界面电荷从Zn 2 SnO 4转移到SnO 2,实现了Zn 2 SnO 4 / SnO 2的电子调制,从而降低了CO的动力学势垒。2减少。密度泛函理论进一步表明,与纯Zn 2 SnO 4或SnO 2相比,Zn 2 SnO 4 / SnO 2可以通过改善的氢覆盖作用使HCOO *中间体在其表面上稳定地稳定。杂化催化剂表现出令人满意的CO 2还原性能,在-1.08 V vs. RHE下的24小时内,HCOOH的稳定选择性为77%。这项研究提供了一种新的异质结构建模和通用方法,用于电子调制和电催化剂开发,以实现高性能的CO 2还原。