The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states
Open accessAbstract
We present an efficient scheme for combining ab initio calculated solid states with experimental aqueous states through a framework of consistent reference energies. Our work enables accurate prediction of phase stability and dissolution in equilibrium with water, which has many important application areas. We formally outline the thermodynamic principles of the scheme and show examples of successful applications of the proposed framework on (1) the evaluation of the water-splitting photocatalyst material Ta${}_{3}$N${}_{5}$ for aqueous stability, (2) the stability of small nanoparticle Pt in acid water, and (3) the prediction of particle morphology and facet stabilization of olivine LiFePO${}_{4}$ as a function of aqueous conditions.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
Tian, N., Zhou, Z.-Y., Sun, S.-G., Ding, Y., & Wang, Z. L. (2007) · Science · doi:10.1126/science.1140484 · Cited by 3,073
Cited by
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
Jain, A., Ong, S. P., Hautier, G., Chen, W., Richards, W. D., Dacek, S., Cholia, S., Gunter, D., Skinner, D., Ceder, G., et al. (2013) · APL Materials · doi:10.1063/1.4812323 · Cited by 13,094
Self-citationAccelerated discovery of CO2 electrocatalysts using active machine learning
Zhong, M., Tran, K., Min, Y., Wang, C., Wang, Z., Dinh, C.-T., De Luna, P., Yu, Z., Rasouli, A. S., Brodersen, P., et al. (2020) · Nature · doi:10.1038/s41586-020-2242-8 · Cited by 1,531
A foundation model for atomistic materials chemistry
Batatia, I., Benner, P., Chiang, Y., Elena, A. M., Kovács, D. P., Riebesell, J., Advincula, X. R., Asta, M., Avaylon, M., Baldwin, W. J., et al. (2024) · arXiv · doi:10.48550/arxiv.2401.00096 · Cited by 604
Self-citationSiahrostami, S., Villegas, S. J., Bagherzadeh Mostaghimi, A. H., Back, S., Farimani, A. B., Wang, H., Persson, K. A., & Montoya, J. (2020) · ACS Catalysis · doi:10.1021/acscatal.0c01641 · Cited by 503
Self-citationPrecious Metal Free Hydrogen Evolution Catalyst Design and Application
Feidenhans’l, A. A., Regmi, Y. N., Wei, C., Xia, D., Kibsgaard, J., & King, L. A. (2024) · Chemical Reviews · doi:10.1021/acs.chemrev.3c00712 · Cited by 499
Metadata
- Authors
- Persson, K. A., Waldwick, B., Lazic, P., & Ceder, G.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2012-06-20
- Volume
- 85
- Issue
- 23
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W1650939490
- Cited by
- 518
- References
- 2
- FWCI
- 7.31
- Type
- journal article
- Language
- en
- Open access
- bronze
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states. https://app.cochat.ai/papers/10.1103/physrevb.85.235438
- The paper
- Persson, K. A., Waldwick, B., Lazic, P., & Ceder, G. (2012). Prediction of solid-aqueous equilibria: Scheme to combine first-principles calculations of solids with experimental aqueous states. Physical Review B. https://doi.org/10.1103/physrevb.85.235438
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
