Michiel Sprik
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Explore the profile of Michiel Sprik including associated specialties, affiliations and a list of published articles.
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54
Citations
427
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Recent Articles
1.
Andersson L, Sprik M, Hutter J, Zhang C
Angew Chem Int Ed Engl
. 2024 Sep;
64(1):e202413614.
PMID: 39313472
We have studied polarized Au(100) and Au(111) electrodes immersed in electrolyte solution by implementing finite-field methods in density functional theory-based molecular dynamics simulations. This allows us to directly compute the...
2.
Sprik M
J Chem Phys
. 2022 Jan;
155(24):244701.
PMID: 34972353
Applying diffusion coupled deformation theory, we investigate how the elastic properties of a solid body are modified when forced to keep its chemical potential aligned with that of its melt....
3.
Dufils T, Sprik M, Salanne M
J Phys Chem Lett
. 2021 Apr;
12(18):4357-4361.
PMID: 33929860
In recent years, constant applied potential molecular dynamics has allowed researchers to study the structure and dynamics of the electrochemical double-layer of a large variety of nanoscale capacitors. Nevertheless, it...
4.
Sprik M
Phys Rev E
. 2021 Mar;
103(2-1):022803.
PMID: 33736023
Mobile charge in an electrolytic solution can in principle be represented as the divergence of ionic polarization. After adding explicit solvent polarization a finite volume of an electrolyte can then...
5.
Geiger J, Sprik M, May M
J Chem Phys
. 2021 Mar;
152(19):194706.
PMID: 33687223
Titanium dioxide in the anatase configuration plays an increasingly important role in photo(electro)catalytic applications due to its superior electronic properties when compared to rutile. In aqueous environments, the surface chemistry...
6.
Jia M, Zhang C, Cox S, Sprik M, Cheng J
J Chem Theory Comput
. 2020 Aug;
16(10):6520-6527.
PMID: 32794753
Proton transfer at metal oxide/water interfaces plays an important role in electrochemistry, geochemistry, and environmental science. The key thermodynamic quantity to characterize this process is the surface acidity constant. An...
7.
Zhang C, Sprik M
Phys Chem Chem Phys
. 2020 Feb;
22(19):10676-10686.
PMID: 32025669
Two collective properties distinguishing the thin liquid water vapour interface from the bulk liquid are the anisotropy of the pressure tensor giving rise to surface tension and the orientational alignment...
8.
Dufils T, Jeanmairet G, Rotenberg B, Sprik M, Salanne M
Phys Rev Lett
. 2019 Nov;
123(19):195501.
PMID: 31765198
A better understanding of interfacial mechanisms is needed to improve the performances of electrochemical devices. Yet, simulating an electrode surface at fixed electrolyte composition remains a challenge. Here, we apply...
9.
Zhang C, Hutter J, Sprik M
J Phys Chem Lett
. 2019 Jun;
10(14):3871-3876.
PMID: 31241948
Surfaces of metal oxides at working conditions are usually electrified because of the acid-base chemistry. The charged interface compensated with counterions forms the so-called electric double layer. The coupling of...
10.
Sayer T, Sprik M, Zhang C
J Chem Phys
. 2019 Feb;
150(4):041716.
PMID: 30709267
Tasker type III polar terminations of ionic crystals carry a net surface charge as well as a dipole moment and are fundamentally unstable. In contact with electrolytes, such polar surfaces...