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S

Stephen C. Parker

University of Bath

H指数:79

被引数:2.2万

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Impact of small-molecule adsorbates on the morphology of PuO2 nanoparticles from first-principles modelling

小分子吸附质对二氧化钚纳米颗粒形貌的影响：第一性原理模拟

Journal of Physics-Condensed Matter

IF2.6

2026-02-200

PRE

Thermoelectric performance of oriented SrTiO3 nanofilms containing Σ3{111} grain boundary interfaces

含有Σ3{111}晶界界面的取向SrTiO3纳米薄膜的热电性能

Materials & Design

IF7.9

2025-10-240

OAAI

A computational high throughput search of symmetric tilt grain boundaries in cerium oxide

ACTA MATERIALIA

IF9.3

2025-01-010

OAAI

Sorption of arsenate on cerium oxide: a simulated infrared and Raman spectroscopic identification

砷酸盐在氧化铈上的吸附: 模拟红外和拉曼光谱鉴定

ENVIRONMENTAL SCIENCE-NANO

IF5.1

2025-01-010

OA

Composition-dependent morphology of stoichiometric and oxygen deficient PuO2 nanoparticles in the presence of H2O and CO2: A density-functional theory study

APPLIED SURFACE SCIENCE

IF6.9

2024-12-011

OAAI

Strain Effects on the Adsorption of Water on Cerium Dioxide Surfaces and Nanoparticles: A Modeling Outlook

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-10-170

OAAI

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

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2024-08-080

OAAI

Grain-boundary-dependent segregation and phase separation in ceria-zirconia from atomistic simulation

来自原子模拟的氧化铈-氧化锆中晶界相关的偏析和相分离

ACTA MATERIALIA

IF9.3

2024-06-010

OA

Genetic algorithm assisted multiscale modeling of grain boundary segregation of Al in ZnO and its correlation with nominal dopant concentration

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY

IF6.2

2024-02-011

PRE

Composition-dependent morphologies of CeO2 nanoparticles in the presence of Co-adsorbed H2O and CO2: a density functional theory study

IF5.1

2024-01-016

OA

First principles insights into oxide/polymer composites: SrTiO3 /polyaniline/graphene

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

IF14.3

2023-12-010

OAAI

BiVO4 Photoanodes Enhanced with Metal Phosphide Co-Catalysts: Relevant Properties to Boost Photoanode Performance

用金属磷化物助催化剂增强的BiVO4光阳极: 提高光阳极性能的相关特性

IF12.1

2023-10-066

OAAI

Infrared and Raman Diagnostic Modeling of Phosphate Adsorption on Ceria Nanoparticles

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-10-045

OAAI

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

NATURE COMMUNICATIONS

IF15.7

2023-03-2920

OAAI

Structural dynamics of Schottky and Frenkel defects in CeO2: a density-functional theory study

CeO2中肖特基和Frenkel缺陷的结构动力学: 密度泛函理论研究

JOURNAL OF PHYSICS-ENERGY

IF6.3

2023-03-067

OA

Identifying pathways to metal-organic framework collapse during solvent activation with molecular simulations

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2023-01-015

OAAI

Rapid Plasma Exsolution from an A-site Deficient Perovskite Oxide at Room Temperature

ADVANCED ENERGY MATERIALS

IF26

2022-10-0327

OAAI

Surface chemistry and porosity engineering through etching reveal ultrafast oxygen reduction kinetics below 400°C in B-site exposed (La,Sr)(Co,Fe)O3 thin-films

JOURNAL OF POWER SOURCES

IF7.9

2022-03-018

OAAI

Structural dynamics of Schottky and Frenkel defects in ThO2: a density-functional theory study

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2022-01-0115

OA

Comparative Study of Oxygen Diffusion in Polyethylene Terephthalate and Polyethylene Furanoate Using Molecular Modeling: Computational Insights into the Mechanism for Gas Transport in Bulk Polymer Systems

IF5.2

2021-12-0119

OA