Trends in adsorption of electrocatalytic water splitting intermediates on cubic ABO3 oxides
Literature Information
Aleksandra Vojvodic
The reactivity of solid oxide surfaces towards adsorption of oxygen and hydrogen is a key metric for the design of new catalysts for electrochemical water splitting. In this paper, we report on trends in the adsorption energy of different adsorbed intermediates derived from the oxidation and reduction of water for ternary ABO3 oxides in the cubic perovskite structure. Our findings support a previously reported trend that rationalizes the observed lower bound in oxygen evolution (OER) overpotentials from correlations in OH* and OOH* adsorption energies. In addition, we report hydrogen adsorption energies that may be used to estimate hydrogen evolution (HER) overpotentials along with potential metrics for electrochemical metastability in reducing environments. We also report and discuss trends between atom-projected density of states and adsorption energies, which may enable a design criteria from the local electronic structure of the active site.
Recommended Journals

Journal of Peptide Science

Saudi Pharmaceutical Journal

Russian Journal of Organic Chemistry

Chemical Communications

Acta Materialia

Russian Journal of Coordination Chemistry

Journal of Saudi Chemical Society

Russian Chemical Bulletin

Russian Journal of Applied Chemistry

Russian Journal of Bioorganic Chemistry
Related Literature
The pressure dependence of self-diffusion and spin–lattice relaxation in cold and supercooled H2O and D2O
M. R. Arnold, H.-D. Lüdemann
DOI: 10.1039/B110639M
Experimental and computer simulation study of the vibrational spectra of vermiculite
Mehdi Arab, Daniel Bougeard, Konstantin S. Smirnov
DOI: 10.1039/B110768B
Pore size engineering of mesoporous silicon nitride materials
Stefan Kaskel, Klaus Schlichte, Bodo Zibrowius
DOI: 10.1039/B109708N
A hybrid SAM phospholipid approach to fabricating a ‘free’ supported lipid bilayer
Arwel V. Hughes, Arach Goldar, Michael C. Gerstenberg, Steve J. Roser, Jeremy Bradshaw
DOI: 10.1039/B200409G
Investigation of dynamic behavior of the Bray–Liebhafsky reaction in the CSTR. Properties of the system examined by pulsed perturbations with I−
Vladana Vukojević, Slobodan Anić, Ljiljana Kolar-Anić
DOI: 10.1039/B109401G
Statistical theory of cluster cooling in rare gas Part II. The PEMET model
Sture Nordholm, Hongrei Li
DOI: 10.1039/B108996J
Adducts of alkali-metal ions with the CC triple bond: an experimental and ab initio study
B. Bonelli, B. Civalleri, P. Ugliengo, Z. Gabelica, E. Garrone
DOI: 10.1039/B108577H
Successive reactions of iron carbonyl cations with dimethyl ether: direct cleavage versus rearrangement
Sophie Le Caër, Michel Heninger, Pascal Pernot, Hélène Mestdagh
DOI: 10.1039/B108261B
Towards the determination of partition coefficients of cosurfactants at surfactant bilayer interfaces by muon spin resonance spectroscopy
Robert Scheuermann, Ian M. Tucker, Andrew M. Creeth, Herbert Dilger, Bettina Beck, Emil Roduner
DOI: 10.1039/B201531P
You might also like
What precautions should be taken when handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3)?
When handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3), safety go...
What is 4-(3,5-Difluorophenyl)aniline (CAS: 405058-00-6)?
4-(3,5-Difluorophenyl)aniline is an aromatic organic compound with the CAS numbe...
How is 5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338982-07-3) typically synthesized?
5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid can ...
What is the market or research trend for 4-Benzylaniline hydrochloride (CAS: 6317-57-3)?
The market for 4-Benzylaniline hydrochloride (CAS: 6317-57-3) is steadily growin...
Is [3-(Diethylsulfamoyl)phenyl]boronic acid (CAS: 871329-58-7) safe?
[3-(Diethylsulfamoyl)phenyl]boronic acid is generally considered safe when handl...
What are the main uses of 3-Bromo-2,5-dimethoxyaniline (CAS: 115929-62-9)?
3-Bromo-2,5-dimethoxyaniline is mainly used in the pharmaceutical and chemical i...
What regulatory guidelines apply to N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7)?
N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7) is subject to ...
What industries use Carbamic acid, N-[(5S)-5,6-diamino-6-oxohexyl]-, 1,1-dimethylethyl ester (CAS: 24828-96-4)?
This compound is primarily used in the pharmaceutical industry for the synthesis...
How should 2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) be stored?
2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) sho...
What industries use Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9)?
Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9) is utilized in the pharma...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.




