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Full-Text Articles in Computational Chemistry

Rate Law For Photoelectrochemical Water Splitting Over Cuo, Bo-Yuan Gao, Wen-Hua Leng Aug 2024

Rate Law For Photoelectrochemical Water Splitting Over Cuo, Bo-Yuan Gao, Wen-Hua Leng

Journal of Electrochemistry

Photocatalytic splitting of water over p-type semiconductors is a promising strategy for production of hydrogen. However, the determination of rate law is rarely reported. To this purpose, copper oxide (CuO) is selected as a model photocathode in this study, and the photogenerated surface charge density, interfacial charge transfer rate constant and their relation to the water reduction rate (in terms of photocurrent) were investigated by a combination of (photo)electrochemical techniques. The results showed that the charge transfer rate constant is exponential-dependent on the surface charge density, and that the photocurrent equals to the product of the charge transfer rate constant …


A Beginners’ Guide To Modelling Of Electric Double Layer Under Equilibrium, Nonequilibrium And Ac Conditions, Lu-Lu Zhang, Chen-Kun Li, Jun Huang Feb 2022

A Beginners’ Guide To Modelling Of Electric Double Layer Under Equilibrium, Nonequilibrium And Ac Conditions, Lu-Lu Zhang, Chen-Kun Li, Jun Huang

Journal of Electrochemistry

In electrochemistry, perhaps also in other time-honored scientific disciplines, knowledge labelled classical usually attracts less attention from beginners, especially those pressured or tempted to quickly jam into research fronts that are labelled, not always aptly, modern. In fact, it is a normal reaction to the burden of history and the stress of today. Against this context, accessible tutorials on classical knowledge are useful, should some realize that taking a step back could be the best way forward. This is the driving force of this article themed at physicochemical modelling of the electric (electrochemical) double layer (EDL). We begin the exposition …


Comparative Studies On The Deterioration Process Of Organic Coatings Under Immersed And Cyclic Wet-Dry Conditions By Eis, Yu-Nan Li, Jia Wang, Wei Zhang Nov 2010

Comparative Studies On The Deterioration Process Of Organic Coatings Under Immersed And Cyclic Wet-Dry Conditions By Eis, Yu-Nan Li, Jia Wang, Wei Zhang

Journal of Electrochemistry

Under the immersed and wet-dry cyclic conditions,the deterioration processes of the organic coatings on carbon steel surface have been comparatively studied by using electrochemical techniques.The wet-dry cycles were carried out in the alternating conditions of 12 h by immersing in a 3.5% sodium chloride solution and drying at 25 ℃ and 50% RH.Coating resistance,Rf,coating capacitance,Cf,and double layer capacitance,Cd,were monitored continuously and separately under above two conditions.The percentages of the intenfacial active area,Aw,were estimated from the obtained double layer capacitance,Cd.According to the EIS characteristics,the entire deterioration processes under above two mentioned conditions can be divided into three main stages,consisting of the …


Eis Characteristics Of Anodic Dissolution For P110 Steel Under Co2 Environment, Jing Li, Dong-Bai Sun, Hong-Ying Yu, Hui-Min Meng, Hui-Qin Li, De-Jun Yang Feb 2001

Eis Characteristics Of Anodic Dissolution For P110 Steel Under Co2 Environment, Jing Li, Dong-Bai Sun, Hong-Ying Yu, Hui-Min Meng, Hui-Qin Li, De-Jun Yang

Journal of Electrochemistry

Effect of temperature on the electrochemical impedance spectroscopy for P110 steel at anodic polarized potential was investigated in simulated CO2 saturated oil produced water. The results demonstrated that in the range from room temperature to 90 ℃, there was a critical temperature , below which a three time constant impedance spectrum was observed and above which a two time constant spectrum was shown. A reasonable explanation was given to this phenomenon in an effort to elucidate the mechanism of anodic dissolution and characteristics of CO2 corrosion.