Decoupled catalytic hydrogen evolution from a molecular metal oxide redox mediator in water splitting

Science ◽  
2014 ◽  
Vol 345 (6202) ◽  
pp. 1326-1330 ◽  
Author(s):  
B. Rausch ◽  
M. D. Symes ◽  
G. Chisholm ◽  
L. Cronin
2014 ◽  
Vol 5 ◽  
pp. 195-201 ◽  
Author(s):  
Mikaela Lindgren ◽  
Itai Panas

Density functional theory is utilized to articulate a particular generic deconstruction of the electrode/electro-catalyst assembly for the cathode process during water splitting. A computational model was designed to determine how alloying elements control the fraction of H2 released during zirconium oxidation by water relative to the amount of hydrogen picked up by the corroding alloy. This model is utilized to determine the efficiencies of transition metals decorated with hydroxide interfaces in facilitating the electro-catalytic hydrogen evolution reaction. A computational strategy is developed to select an electro-catalyst for hydrogen evolution (HE), where the choice of a transition metal catalyst is guided by the confining environment. The latter may be recast into a nominal pressure experienced by the evolving H2 molecule. We arrived at a novel perspective on the uniqueness of oxide supported atomic Pt as a HE catalyst under ambient conditions.


2021 ◽  
Vol 9 (1) ◽  
pp. 101-109
Author(s):  
In Hye Kwak ◽  
Ik Seon Kwon ◽  
Jong Hyun Lee ◽  
Young Rok Lim ◽  
Jeunghee Park

Chalcogen vacancies of MoS2, MoSe2, WS2, and WSe2 nanosheets enhanced the catalytic hydrogen evolution reaction in solar photoelectrochemical cells.


2020 ◽  
Vol 44 (26) ◽  
pp. 11035-11041
Author(s):  
Zhao-Min Su ◽  
Mo Zhang ◽  
Qingqing An ◽  
Dan Qin ◽  
Hai-Lou Li ◽  
...  

Two hybrid inorganic–organic CuII-sandwiched POM were synthesized and they exhibit photocatalytic activity. This would guide us to prepared copper-substituted polyoxotungstate and apply them toward renew energy.


2019 ◽  
Vol 7 (14) ◽  
pp. 8101-8106 ◽  
Author(s):  
In Hye Kwak ◽  
Hafiz Ghulam Abbas ◽  
Ik Seon Kwon ◽  
Yun Chang Park ◽  
Jaemin Seo ◽  
...  

Cobaltocene-intercalated WS2 nanosheets exhibit excellent catalytic activity toward the hydrogen evolution reaction, which is supported by spin-polarized density functional theory calculations.


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