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Development and Application of a ReaxFF Reactive Force Field for Cerium Oxide/Water Interfaces.
J Phys Chem A. 2021 Jul 1;125(25):5693-5708. doi: 10.1021/acs.jpca.1c04078. Epub 2021 Jun 21.
J Phys Chem A. 2021.
PMID: 34152149
Assessment of Density Functional Approximations for Highly Correlated Oxides: The Case of CeO2 and Ce2O3.
Brugnoli L, Ferrari AM, Civalleri B, Pedone A, Menziani MC.
Brugnoli L, et al.
J Chem Theory Comput. 2018 Sep 11;14(9):4914-4927. doi: 10.1021/acs.jctc.8b00600. Epub 2018 Aug 27.
J Chem Theory Comput. 2018.
PMID: 30096235
Free article.
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H2O2adsorption and dissociation on various CeO2(111) surface models: a first-principles study.
Brugnoli L, Urata S, Pedone A.
Brugnoli L, et al.
J Phys Condens Matter. 2022 Feb 23;34(16). doi: 10.1088/1361-648X/ac5278.
J Phys Condens Matter. 2022.
PMID: 35130519
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Impact of Atomic Defects on Ceria Surfaces on Chemical Mechanical Polishing of Silica Glass Surfaces.
Di Biase M, Brugnoli L, Miyatani K, Akaji M, Yoshida T, Urata S, Pedone A.
Di Biase M, et al. Among authors: brugnoli l.
Langmuir. 2024 Apr 2;40(13):6773-6785. doi: 10.1021/acs.langmuir.3c03557. Epub 2024 Mar 20.
Langmuir. 2024.
PMID: 38507244
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New Atomistic Insights on the Chemical Mechanical Polishing of Silica Glass with Ceria Nanoparticles.
Brugnoli L, Miyatani K, Akaji M, Urata S, Pedone A.
Brugnoli L, et al.
Langmuir. 2023 Apr 18;39(15):5527-5541. doi: 10.1021/acs.langmuir.3c00304. Epub 2023 Apr 8.
Langmuir. 2023.
PMID: 37029752
Free PMC article.
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