Physical Chemistry Commons^™

Effect Of Fe2+/Fe3+Interconvertion On Reduction Behavior Of Fe3+ In Acidic Electrolytes, Jian-Xin Qin, Feng Lin, Wen-Ping Liu, Chao Chen, Meng-De Ren

Journal of Electrochemistry

The influences of ferrous/ferric (Fe²⁺/Fe³⁺) interconvertion on electrochemical reduction and electrode reaction of Fe³⁺ were investigated by using linear sweep voltammetry, potentiostatic method and cyclic voltammetry (CV) in acidic electrolytes containing chloride ion (Cl^-) and sulfate ion (SO₄^2-). It was shown that the reduction process of Fe³⁺/Fe²⁺ would take place in two independent stages: (1) the reduction of Fe³⁺ to Fe²⁺ at E=0.35V and (2) the co-precipitation of Fe²⁺ by forming Fe(OH)₂ (E≤-0.3 V) instead of Fe. The major effect of Fe^{2+ …}

Brief Introduction To Metal Corrosion And Protection, Hou-Yi Ma, Cong-Ying Cui, Ting Chen

Journal of Electrochemistry

This paper explains why corrosion processes are usually electrochemical in nature, describes the significance of electrochemical kinetic parameters of corrosion process, and briefly introduces the principles of corrosion protection, the most common corrosion protection methods and some special application of corrosion processes.

The New Application Of Battery-Electrode Reaction: Decoupled Hydrogen Production In Water Electrolysis, Yuan-Yuan Ma, Zhao-Wei Guo, Yong-Gang Wang, Yong-Yao Xia

Journal of Electrochemistry

Hydrogen has been considered as a promising alternative to unsustainable fossil fuels because of its high calorific value, clean and abundant resources. Water electrolysis combined with renewable energy is regarded as the best way for hydrogen production, which will become the foundation of future hydrogen economy. For the past few years, many efforts have been employed to develop the cheap and high-performance catalyst for hydrogen evolution reaction and oxygen evolution reaction. However,the coupled hydrogen and oxygen evolution and the use of the expensive membrane have greatly restricted the flexibility of the conventional water electrolysis, and hindered the utilization of renewable …

Predicting The Hydration Free Energy Of Small Alkanes And Alcohols From Custom, Electronic Structure-Based Force Fields, T. Ryan Rogers

Graduate Theses and Dissertations

Mathematical theories reveal the fundamental physics involved in experimentalphenomena. Computer models of such theories are routinely used to corroborate or explain experiments and predict properties of chemical systems. Therefore, an important effort in computational chemistry is the development of more accurate and efficient chemical models. Current-generation models are only beginning to approach experimental-quality predictions of hydration free energies (HFEs).Using computations of quantum mechanical (QM) forces and classical simulations based on these forces, I investigate models to predict several properties of solutes and solutions. This dissertation is a collection of projects exemplifying methods used to gain insight into chemical systems.

Simulations …

Electrochemical Oxidation Of Metal Chromium In Odium Hydroxide Aqueous Solution, Ping Han, Hai-Tao Feng, Ya-Ping Dong, Sen Tian, Bo Zhang, Wu Li

Journal of Electrochemistry

Ferrochrome electrolysis technology is a novel method for preparing sodium chromate (Na₂CrO₄). Although the method performs well at soft reaction conditions, controllable process, environmentally friendly production process, etc., the electrochemical oxidation process of metal chromium in NaOH aqueous electrolyte is still unclear. At present, there are few research articles about specific electrochemical oxidation of metal chromium in NaOH aqueous electrolyte. It is, therefore, meaningful to carry out the research in electrochemical oxidation mechanism of chromium. The electrochemical oxidation of metal chromium in 0.01 mol·L^-1 ~ 10 mol·L^-1 NaOH aqueous electrolytes at 20 °C was …

Research Progress In Cycle Stability Of Silicon Based Li-Ion Battery Anodes, Ze-Liang Guo, Hui Wu

Journal of Electrochemistry

Silicon(Si), with the highest specific capacity currently known, is a promising anode material for Li-ion battery. However, in the charging and discharging process, with Li atoms inserting into and breaking out of the Si crystal lattices, the Si anode undergoes enormous volume expansion and contraction, ending in pulverization. The fact that the specific capacity of bulk Si anodes drop quickly is a challenging problem. In this review, we summarize recent progresses in Si anode. We concern about the nanostructure of silicon, cooperation of silicon with other additives and macrostructure design of anodes. We discuss strengths and shortcomings of different methods, …

Measurements Of Rate Constant For Electrode Reactions, Lian-Huan Han, Jia-Yao Guo, Miao-Miao Cui

Journal of Electrochemistry

Standard electron-transfer rate constant is one of the intrinsic properties for an electrochemical reaction, which is significant in the study of electrode kinetics. It is a key criterion for one to clarify the mechanism and pathway of a specific electrochemical reaction, and to screening and design the electrocatalysts and battery materials. Herein, we will introduce the measuring methods of rate constant for electrode reactions, including polarization curve, rotating disk electrode, ultramicroelectrode, scanning electrochemical microscopy, electrochemical impedance spectroscopy, current step, potential step and cyclic voltammetry, etc., to provide a guide to investigate electrode kinetics for graduate students and researchers in the …

Review Of Carbon Materials Energy Storage Mechanism In Lead-Carbon Battery, Le-Ying Wang, Hao Zhang, Chen Hu, Shu-Kai Zhang, Hai-Lei Zhao, Gao-Ping Cao, Wen-Feng Zhang, Yu-Sheng Yang, Xiao-Kang Lai

Journal of Electrochemistry

The traditional lead-acid batteries are mainly used for automobile and various internal combustion engine starting, wireless communication base stations and renewable energy storage; however, their negative plates are easily sulfated under partial-state-of-charge duty, then their charging capacity and cycle life are greatly reduced. Lead-carbon battery is a new type of lead-acid battery, in which a carbon material with high specific surface area and conductivity is added into a negative plate, and has excellent rate discharge performance and higher PSoC cycle life. Lead-carbon battery has a good application prospect in energy storage and hybrid electric vehicle, so these years the study …

Computational-Experimental Synergy As A Predictive And Interpretive Tool Through Metal-Organic Framework Investigations, Cristian Sayers

Graduate Student Theses and Dissertations

In the search for tunable materials platforms capable of addressing both clean energy conversion and viable post-combustion carbon capture, metal-organic frameworks (MOFs) have emerged as a uniquely versatile class of porous solids offering high specific surface area, structural tunability, and chemically addressable metal nodes and organic linkers. Realizing their potential requires understanding behavior that spans atomic-scale electronic structure and bulk-scale property response, a regime in which neither computation nor experiment alone is sufficient. This work attempts to develop a tighter integration between density functional theory (DFT) and laboratory investigation, treating the two modalities as mutually informing probes of the same …

Modification Of Electrolytic Manganese Dioxide, Shu-Rong Ding, Xin-Hai Li, Zhi-Xing Wang, Hua-Jun Guo

Journal of Electrochemistry

The EMD samples coated with CMD-Bi compound were prepared by liquid-phase surface treatment method.XRD and SEM research indicated that the modified manganese dioxide, i.e, EMD/CMD-Bi, could keep γ-MnO₂ crystal structure of EMD and had more pores on its surface with an obvious floccule layer.Electrochemical test indicated that the second electron reduction peak current increased by 1.5 times and the discharge capacity increased by 40.8% and 78.3% respectively than that of pure EMD electrode under the condition of-0.8 V(vs.Hg/HgO) cut-off voltage at 30.8 mA/g and 102.7 mA/g current density.