最后,COMSOL Multiphysics的模拟结果显示,适度的降低催化剂表面*H2O的覆盖度能够有效的加快C-C偶联反应速率(图6)。 图6. 应力Cu催化剂促进C-C偶联的机制。 【文章链接】 Compressive strain in Cu catalysts: Enhancing generation of C2+ products in electrochemical CO2 reduction https://doi.org/10.1016/j....
基于此,来自中南大学的刘苏彪教授课题组在国际知名期刊Chemical Society Reviews上发表题为“Strong effect-correlated electrochemical CO2reduction”的综述论文。该论文对与ECR密切相关的效应进行了比较分析,包括由尺寸、形状、组分、缺陷、界面和配...
实验结合COMSOL仿真模拟发现,界面富多级孔的空心碳球有助于促进活性Ni位点周围CO2分子的传质;同时特殊的空心结构易于位点活性的暴露,从而提高CO2电催化活性。这充分解释了I-Ni SA/NHCRs与Ni-NC之间的活性差异。 Figure 4. a) Simulation results of CO2 diffusion time in 0.5 M NaHCO3 solution for model I and...
因此,在1400 mA cm-2下,C2+(FEC2+)的法拉第效率可达90.69±2.15%,同时CO2流量为7时单程碳效率(SPCE)为25.49±0.82% SCCM。 Fig 1. 通过 COMSOL 模拟研究催化剂的表面微环境。(a) CuNN 表面附近的电场分布。(b) 3 M KCl ...
The model was solved numerically using COMSOL Multiphysics software package. The simulated results were optimized to fit the experimental data using COMSOL-Matlab LiveLink software package. Primary reaction rate constants for CO reduction were predicted. The mathematical model was found to explain the ...
厦门大学化学化工学院汪骋教授课题组在金属有机单层(MOL)上构造原卟啉钴和吡啶催化位点用于电催化CO2还原反应方面取得进展。相关研究成果“Cooperative Stabilization of the [Pyridinium-CO2-Co]Adduct on a Metal–Organic Layer Enhances Electrocatalytic CO2Reduction”在线发表于J. Am. Chem. Soc.(DOI: 10.1021/ja...
Y.X. carried out electrochemical measurements, part of the COMSOL simulations and analysed data. P.O. carried out DFT calculations and analysed data. X.W. performed in situ Raman analysis. C.M. contributed part of the COMSOL modelling. T.C. and T.B.L. performed XPS measurements. Ying ...
Achieving satisfactory multi-carbon (C2+) products selectivity and current density under acidic condition is a key issue for practical application of electrochemical CO2 reduction reaction (CO2RR), but is challenging. Herein, we demonstrate that combinin
基于此,来自中南大学的刘苏彪教授课题组在国际知名期刊Chemical Society Reviews上发表题为“Strong effect-correlated electrochemical CO2reduction”的综述论文。该论文对与ECR密切相关的效应进行了比较分析,包括由尺寸、形状、组分、缺陷、界面和配体引发的材料固有效应;由特定结构导致的限域效应、应变效应和场效应等结构诱...
Here, using COMSOL Multiphysics finite element simulations, the potential of carbon layer as concentration field control modules in tip-featured catalysts was comprehensively evaluated. The tip-like structure led to an enhanced local electronic field because of the high curvature, which is expected to ...