Lisa J. Gillie

university of huddersfield

H指数:17

被引数:1,232

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Infrared and Raman Signatures of Stoichiometric PuO2: A Density Functional Theory Study

普鲁土氧化物（PuO2）的傅里叶变换红外和拉曼光谱特征：密度泛函理论研究

Journal of Nuclear Materials

IF3.2

2026-05-080

PRE

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

Effect of strain on the adsorption of carboxylic acids on the surfaces of cerium oxide

应变对羧酸在二氧化铈表面吸附的影响

Surfaces and Interfaces

IF6.3

2025-10-100

OAAI

Modelling Hydrogen Peroxide Adsorption on Cerium Dioxide: The Effect of Surface Strain

模拟二氧化铈表面过氧化氢吸附：表面应变的影响

Catal. Sci. Technol.

IF4.2

2025-07-300

Towards modelling speciation and crystal morphology: The hydration of plutonium hydride surfaces

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

IF8.3

2025-03-010

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

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

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

NANOSCALE

IF5.1

2024-01-016

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

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

IF14.3

2023-12-010

OAAI

Infrared and Raman Diagnostic Modeling of Phosphate Adsorption on Ceria Nanoparticles

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2023-10-045

OAAI

The application of thermomicroscopy to the temperature programmed reduction in metal oxides

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

IF3.1

2023-03-300

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

A Review of Key Properties of Thermoelectric Composites of Polymers and Inorganic Materials

聚合物与无机材料热电复合材料关键性能研究进展

MATERIALS

IF3.2

2022-12-057

OAAI

An atomistic modelling investigation of the defect chemistry of SrTiO3 and its Ruddlesden-Popper phases, Srn+1TinO3n+1 (n=1-3)

JOURNAL OF SOLID STATE CHEMISTRY

IF3.5

2021-11-018

OAAI

Unraveling the Impact of Graphene Addition to Thermoelectric SrTiO3 and La-Doped SrTiO3 Materials: A Density Functional Theory Study

ACS APPLIED MATERIALS & INTERFACES

IF8.2

2021-08-1813

OAAI

Variable-focus microscopy and UV surface dissolution imaging as complementary techniques in intrinsic dissolution rate determination

INTERNATIONAL JOURNAL OF PHARMACEUTICS

IF5.2

2017-09-0118

OAAI

Fluorine intercalation in the n=1 and n=2 layered manganites Sr2MnO3.5+x and Sr3Mn2O6

MATERIALS RESEARCH BULLETIN

IF5.7

2013-04-015

PREAI

Lisa J. Gillie

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