The DOI matches its Crossref record; 59 of the 59 references it cites were found in a registry or an index.
Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics
Open accessAbstract
TiO 2 is a widely used photocatalyst in science and technology and its interface with water is important in fields ranging from geochemistry to biomedicine.
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
Fast Parallel Algorithms for Short-Range Molecular Dynamics
Plimpton, S. (1995) · Journal of Computational Physics · doi:10.1006/jcph.1995.1039 · Cited by 44,721
Electrochemical Photolysis of Water at a Semiconductor Electrode
FUJISHIMA, A., & HONDA, K. (1972) · Nature · doi:10.1038/238037a0 · Cited by 34,169
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,281
Self-citationCanonical dynamics: Equilibrium phase-space distributions
Hoover, W. G. (1985) · Physical Review A · doi:10.1103/physreva.31.1695 · Cited by 23,465
Polymorphic transitions in single crystals: A new molecular dynamics method
Parrinello, M., & Rahman, A. (1981) · Journal of Applied Physics · doi:10.1063/1.328693 · Cited by 19,790
Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results
Linsebigler, A. L., Lu, G., & Yates, J. T. (1995) · Chemical Reviews · doi:10.1021/cr00035a013 · Cited by 11,575
A molecular dynamics method for simulations in the canonical ensemble
Nosé, S. (1984) · Molecular Physics · doi:10.1080/00268978400101201 · Cited by 10,076
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
Verlet, L. (1967) · Physical Review · doi:10.1103/physrev.159.98 · Cited by 9,534
Advanced capabilities for materials modelling with Q uantum ESPRESSO
Giannozzi, P., Andreussi, O., Brumme, T., Bunau, O., Buongiorno Nardelli, M., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Cococcioni, M., et al. (2017) · Journal of Physics: Condensed Matter · doi:10.1088/1361-648x/aa8f79 · Cited by 8,361
Self-citationTitanium dioxide photocatalysis
Fujishima, A., Rao, T. N., & Tryk, D. A. (2000) · Journal of Photochemistry and Photobiology C: Photochemistry Reviews · doi:10.1016/s1389-5567(00)00002-2 · Cited by 7,916
Cited by
Unke, O. T., Chmiela, S., Sauceda, H. E., Gastegger, M., Poltavsky, I., Schütt, K. T., Tkatchenko, A., & Müller, K.-R. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c01111 · Cited by 1,647
Electrocatalysis in Alkaline Media and Alkaline Membrane-Based Energy Technologies
Yang, Y., Peltier, C. R., Zeng, R., Schimmenti, R., Li, Q., Huang, X., Yan, Z., Potsi, G., Selhorst, R., Lu, X., et al. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00331 · Cited by 544
Self-citationBridging the complexity gap in computational heterogeneous catalysis with machine learning
Mou, T., Pillai, H. S., Wang, S., Wan, M., Han, X., Schweitzer, N. M., Che, F., & Xin, H. (2023) · Nature Catalysis · doi:10.1038/s41929-023-00911-w · Cited by 280
Predicting Structural Properties of Pure Silica Zeolites Using Deep Neural Network Potentials
Sours, T. G., & Kulkarni, A. R. (2023) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.2c08429 · Cited by 36
Reactive force fields for aqueous and interfacial magnesium carbonate formation
Zare, S., & Qomi, M. J. A. (2021) · Physical Chemistry Chemical Physics · doi:10.1039/d1cp02627e · Cited by 24
Metadata
- Authors
- Calegari Andrade, M. F., Ko, H.-Y., Zhang, L., Car, R., & Selloni, A.
- Venue
- Chemical Science
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2020
- Volume
- 11
- Issue
- 9
- Pages
- 2335-2341
- ISSN
- 2041-6520 (ISSN-L)
- 2041-6539
- OpenAlex
- W3004021778
- Cited by
- 267
- References
- 59
- FWCI
- 6.12
- Type
- journal article
- Language
- en
- Open access
- diamond
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: Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics. https://app.cochat.ai/papers/10.1039/c9sc05116c
- The paper
- Calegari Andrade, M. F., Ko, H.-Y., Zhang, L., Car, R., & Selloni, A. (2020). Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics. Chemical Science. https://doi.org/10.1039/c9sc05116c
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.