scholarly journals Theoretical study of reactions at the electrode-electrolyte interface

1993 ◽  
Author(s):  
J.W. Halley
Keyword(s):  
Theoretical Study ◽  
Electrolyte Interface

A theoretical study on the binding and electrolytic splitting of hydrogen fluoride on Ni(111) and Ni(211)

2020 ◽  
Vol 22 (8) ◽  
pp. 4407-4415
Author(s):  
Stefan Mattsson ◽  
Beate Paulus
Keyword(s):  
Hydrogen Fluoride ◽  
Theoretical Study ◽  
Dft Methods ◽  
Electrolyte Interface ◽  
Anhydrous Hydrogen Fluoride

Anhydrous hydrogen fluoride (HF) is electrochemically activated on Ni electrodes in the Simons process. We study the electrode/electrolyte interface using DFT methods and find the splitting of HF to be exothermic even at low cell potentials.

DNA Bases Assembled on the Au(110)/Electrolyte Interface: A Combined Experimental and Theoretical Study

2015 ◽  
Vol 119 (7) ◽  
pp. 3123-3134 ◽  
Author(s):  
Princia Salvatore ◽  
Renat R. Nazmutdinov ◽  
Jens Ulstrup ◽  
Jingdong Zhang
Keyword(s):  
Theoretical Study ◽  
Dna Bases ◽  
Electrolyte Interface

Electrolyte interface design for regulating Li dendrite growth in rechargeable Li-metal batteries: A theoretical study

2021 ◽  
Vol 496 ◽  
pp. 229791
Author(s):  
Tai Thai Vu ◽  
Gwang Hyeon Eom ◽  
Junwon Lee ◽  
Min-Sik Park ◽  
Janghyuk Moon
Keyword(s):  
Interface Design ◽  
Theoretical Study ◽  
Dendrite Growth ◽  
Electrolyte Interface
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