Parker SC - Search Results

1

A Single Model for the Thermodynamics and Kinetics of Metal Exsolution from Perovskite Oxides.

Bonkowski A, Wolf MJ, Wu J, Parker SC, Klein A, De Souza RA. Bonkowski A, et al. Among authors: parker sc. J Am Chem Soc. 2024 Aug 21;146(33):23012-23021. doi: 10.1021/jacs.4c03412. Epub 2024 Aug 8. J Am Chem Soc. 2024. PMID: 39116036 Free PMC article.

2

Free energy of adsorption of water and metal ions on the [1014] calcite surface.

Kerisit S, Parker SC. Kerisit S, et al. Among authors: parker sc. J Am Chem Soc. 2004 Aug 18;126(32):10152-61. doi: 10.1021/ja0487776. J Am Chem Soc. 2004. PMID: 15303891

3

Rutile (β-)MnO2 surfaces and vacancy formation for high electrochemical and catalytic performance.

Tompsett DA, Parker SC, Islam MS. Tompsett DA, et al. Among authors: parker sc. J Am Chem Soc. 2014 Jan 29;136(4):1418-26. doi: 10.1021/ja4092962. Epub 2014 Jan 21. J Am Chem Soc. 2014. PMID: 24446882 Free article.

4

The usefulness of molecular-dynamics simulations in clarifying the activation enthalpy of oxygen-vacancy migration in the perovskite oxide BaTiO₃.

Kaub J, Kler J, Parker SC, De Souza RA. Kaub J, et al. Among authors: parker sc. Phys Chem Chem Phys. 2020 Mar 11;22(10):5413-5417. doi: 10.1039/c9cp06838d. Phys Chem Chem Phys. 2020. PMID: 32104813

5

Real-time insight into the multistage mechanism of nanoparticle exsolution from a perovskite host surface.

Calì E, Thomas MP, Vasudevan R, Wu J, Gavalda-Diaz O, Marquardt K, Saiz E, Neagu D, Unocic RR, Parker SC, Guiton BS, Payne DJ. Calì E, et al. Among authors: parker sc. Nat Commun. 2023 Mar 29;14(1):1754. doi: 10.1038/s41467-023-37212-6. Nat Commun. 2023. PMID: 36990982 Free PMC article.

6

Thermodynamics, Electronic Structure, and Vibrational Properties of Sn _n (S_1-x Se _x ) _m Solid Solutions for Energy Applications.

Gunn DSD, Skelton JM, Burton LA, Metz S, Parker SC. Gunn DSD, et al. Among authors: parker sc. Chem Mater. 2019 May 28;31(10):3672-3685. doi: 10.1021/acs.chemmater.9b00362. Epub 2019 May 3. Chem Mater. 2019. PMID: 32063672 Free PMC article.

7

Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors.

Skelton JM, Tiana D, Parker SC, Togo A, Tanaka I, Walsh A. Skelton JM, et al. Among authors: parker sc. J Chem Phys. 2015 Aug 14;143(6):064710. doi: 10.1063/1.4928058. J Chem Phys. 2015. PMID: 26277159 Free article.

8

Accuracy of Hybrid Functionals with Non-Self-Consistent Kohn-Sham Orbitals for Predicting the Properties of Semiconductors.

Skelton JM, Gunn DSD, Metz S, Parker SC. Skelton JM, et al. Among authors: parker sc. J Chem Theory Comput. 2020 Jun 9;16(6):3543-3557. doi: 10.1021/acs.jctc.9b01218. Epub 2020 May 20. J Chem Theory Comput. 2020. PMID: 32369352

9

Free energy of adsorption of water and calcium on the [10 1 4] calcite surface.

Kerisit S, Parker SC. Kerisit S, et al. Among authors: parker sc. Chem Commun (Camb). 2004 Jan 7;(1):52-3. doi: 10.1039/b311928a. Epub 2003 Dec 2. Chem Commun (Camb). 2004. PMID: 14737328

10

Microscopic origin of the optical processes in blue sapphire.

Bristow JK, Parker SC, Catlow CR, Woodley SM, Walsh A. Bristow JK, et al. Among authors: parker sc. Chem Commun (Camb). 2013 Jun 11;49(46):5259-61. doi: 10.1039/c3cc41506f. Chem Commun (Camb). 2013. PMID: 23632734 Free article.

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