Selective electrochemical hydrogen evolution on cerium oxide protected catalyst surfaces

Electrochemical chlorine evolution at rutile oxide (110) surfaces.

Based on density functional theory (DFT) calculations we study the electrochemical chlorine evolution reaction on rutile (110) oxide surfaces. First we construct the Pourbaix surface diagram for IrO(2) and RuO(2), and from this we find the chlorine evolution reaction intermediates and identify the lowest overpotential at which all elementary reaction steps in the chlorine evolution reaction are...

Computational Study on Reduction Potential of [CoP4N2(OH2)2]2+ as a Super-Efficient Catalyst in Electrochemical Hydrogen Evolution

Hydrogen is considered as a unique choice for future world’s resources. The important parameter in the process of hydrogen production is the value of reduction potential for the used catalyst, in direct contact with consumed energy in process. The application of computational methods to design and modify molecular catalysts is highly regarded. This study sought to explore Density Functional...

Nanocomposite of MoS2 on ordered mesoporous carbon nanospheres: A highly active catalyst for electrochemical hydrogen evolution

Molybdenum phosphide: a new highly efficient catalyst for the electrochemical hydrogen evolution reaction.

Molybdenum phosphide was adopted as a new electrocatalyst for the hydrogen evolution reaction for the first time, exhibiting an excellent electrocatalytic activity with a small Tafel slope of 60 mV dec(-1), which is amongst the most active, acid-stable, earth abundant HER electrocatalysts reported to date.

computational study on reduction potential of [cop4n2(oh2)2]2+ as a super-efficient catalyst in electrochemical hydrogen evolution

hydrogen is considered as a unique choice for future world’s resources. the important parameter in the process of hydrogen production is the value of reduction potential for the used catalyst, in direct contact with consumed energy in process. the application of computational methods to design and modify molecular catalysts is highly regarded. this study sought to explore density functional the...