密度泛函理论
材料科学
X射线光电子能谱
异质结
光谱学
超快激光光谱学
飞秒
吸收(声学)
载流子
光化学
吸收光谱法
漫反射红外傅里叶变换
选择性
X射线吸收精细结构
氧化还原
肖特基势垒
化学
催化作用
纳米结构
分析化学(期刊)
结合能
傅里叶变换红外光谱
衰减全反射
光电发射光谱学
原位
红外光谱学
人工光合作用
化学物理
纳米晶
有效核电荷
X射线吸收光谱法
质谱法
作者
Zexiang Wang,Feng Xiang,Haixia Wang,Mingyue Zheng,Yuxia Wang,Ying Wang,R C Li,Xian Zhao,Weiliu Fan
摘要
ABSTRACT The CO 2 photoreduction to multi‐carbon products, particularly C 2 H 4 , remains challenging due to inefficient charge separation, high C−C coupling barriers, and limited mass transport. Herein, we designed a mixed‐dimensional heterostructure integrating S‐scheme and Schottky junctions, with Cu‐decorated CsPbBr 3 nanocrystals anchored on three‐dimensionally ordered macroporous g‐C 3 N 4 (Cu@CPB/3DOM‐CN). In situ x‐ray photoelectron spectroscopy and femtosecond transient absorption spectroscopy demonstrate dual internal electric fields driving rectified spatial carrier separation with strong redox capability. Strong metal–support interaction induces charge redistribution, generating polarized Cu/Pb dual sites that lower the energy barrier for *CO hydrogenation to *CHO. In situ diffuse reflectance infrared Fourier transform spectroscopy combined with density functional theory calculations provides direct evidence that dual sites promote asymmetric *CO−*CHO coupling. The 3DOM framework functions as a nanoreactor, enhancing the local enrichment of CO 2 and key intermediates to promote coupling kinetics. The optimized catalyst exhibits distinct selectivity across varying CO 2 concentrations, achieving 52.4% C 2 H 4 selectivity (26.37 µmol g −1 h −1 ) in pure CO 2 , which increases to 77.6% and 65.1% under 5% and 0.04% CO 2 (balanced with Ar), respectively, highlighting its remarkable adaptability to diverse application scenarios. This work establishes a triple synergy of directional charge transport, active‐site polarization, and reactant enrichment for efficient and selective CO 2 ‐to‐C 2 H 4 conversion.
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