Computational Screening of Electrocatalytic Materials for Hydrogen Evolution: Platinum Monolayer on Transitional Metals

2018 ◽  
Vol 123 (1) ◽  
pp. 495-503 ◽  
Author(s):  
Xi-Bo Li ◽  
Tengfei Cao ◽  
Feipeng Zheng ◽  
Xiaobo Chen
Keyword(s):  
Hydrogen Evolution ◽  
Transitional Metals ◽  
Computational Screening ◽  
Platinum Monolayer

scholarly journals The potential scarcity, or not, of polymeric overall water splitting photocatalysts

2021 ◽  
Author(s):  
Benedict Saunders ◽  
Liam Wilbraham ◽  
Andrew Prentice ◽  
Reiner Sebastian Sprick ◽  
Martinus Antonius Zwijnenburg
Keyword(s):  
Visible Light ◽  
Conjugated Polymers ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
High Throughput ◽  
Co Catalysts ◽  
Overall Water Splitting ◽  
Computational Screening ◽  
Ability To Drive

We perform a high-throughput computational screening of a set of 3240 conjugated alternating binary co-polymers and homo-polymers, in which we predict their ability to drive sacrificial hydrogen evolution and overall water splitting when illuminated with visible light. We use the outcome of this screening to analyse how common the ability to drive either reaction is for conjugated polymers loaded with suitable co-catalysts, and to suggest promising (co-)monomers for polymeric overall water splitting catalysts.

Platinum Monolayer Electrocatalyst on Gold Nanostructures on Silicon for Photoelectrochemical Hydrogen Evolution

ACS Nano ◽  
2013 ◽  
Vol 7 (7) ◽  
pp. 6017-6023 ◽  
Author(s):  
Joohong Kye ◽  
Muncheol Shin ◽  
Bora Lim ◽  
Jae-Won Jang ◽  
Ilwhan Oh ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Gold Nanostructures ◽  
Platinum Monolayer ◽  
Platinum Monolayer Electrocatalyst

Two-Dimensional Metal Dichalcogenides and Oxides for Hydrogen Evolution: A Computational Screening Approach

2015 ◽  
Vol 6 (9) ◽  
pp. 1577-1585 ◽  
Author(s):  
Mohnish Pandey ◽  
Aleksandra Vojvodic ◽  
Kristian S. Thygesen ◽  
Karsten W. Jacobsen
Keyword(s):  
Hydrogen Evolution ◽  
Two Dimensional ◽  
Computational Screening ◽  
Screening Approach ◽  
Metal Dichalcogenides

scholarly journals Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation

2018 ◽  
Vol 6 (25) ◽  
pp. 11994-12003 ◽  
Author(s):  
Reiner Sebastian Sprick ◽  
Catherine M. Aitchison ◽  
Enrico Berardo ◽  
Lukas Turcani ◽  
Liam Wilbraham ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Computational Screening

The hydrogen evolution activity of a polymeric photocatalyst was maximised by co-polymerisation, using both experimental and computational screening for a family of 1,4-phenylene/2,5-thiophene co-polymers.

scholarly journals The potential scarcity, or not, of polymeric overall water splitting photocatalysts

2021 ◽  
Author(s):  
Benedict Saunders ◽  
Liam Wilbraham ◽  
Andrew Prentice ◽  
Reiner Sebastian Sprick ◽  
Martinus Antonius Zwijnenburg
Keyword(s):  
Visible Light ◽  
Conjugated Polymers ◽  
Hydrogen Evolution ◽  
Water Splitting ◽  
High Throughput ◽  
Co Catalysts ◽  
Overall Water Splitting ◽  
Computational Screening ◽  
Ability To Drive

We perform a high-throughput computational screening of a set of 3240 conjugated alternating binary co-polymers and homo-polymers, in which we predict their ability to drive sacrificial hydrogen evolution and overall water splitting when illuminated with visible light. We use the outcome of this screening to analyse how common the ability to drive either reaction is for conjugated polymers loaded with suitable co-catalysts, and to suggest promising (co-)monomers for polymeric overall water splitting catalysts.

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