UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

Transport Properties in the CeO2–x (111) Surface: From Charge Distribution to Ion-Electron Collaborative Migration

Journal of physical chemistry. C, 2013-12, Vol.117 (48), p.25497-25503

2013

Volltextzugriff (PDF)

Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study

Journal of physical chemistry. C, 2013-07, Vol.117 (28), p.14502-14509

2013

Volltextzugriff (PDF)

Nature of the Mixed-Oxide Interface in Ceria–Titania Catalysts: Clusters, Chains, and Nanoparticles

Journal of physical chemistry. C, 2013-07, Vol.117 (28), p.14463-14471

2013

Volltextzugriff (PDF)

Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: The Case of CeO2 and Ce2O3

Journal of chemical theory and computation, 2011-01, Vol.7 (1), p.56-65

2011

Volltextzugriff (PDF)

Structural, electronic and optical properties of copper, silver and gold sulfide: a DFT study

Theoretical chemistry accounts, 2016-03, Vol.135 (3), Article 70

2016

Volltextzugriff (PDF)

Understanding the Interplay of Dopants, Interfaces, and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures

Chemistry of materials, 2014-06, Vol.26 (11), p.3385-3390

2014

Volltextzugriff (PDF)

Structural Defects in W-Doped TiO2 (101) Anatase Surface: Density Functional Study

Journal of physical chemistry. C, 2011-09, Vol.115 (34), p.16970-16976

2011

Volltextzugriff (PDF)

Making Photo-selective TiO2 Materials by Cation–Anion Codoping: From Structure and Electronic Properties to Photoactivity

Journal of physical chemistry. C, 2012-09, Vol.116 (35), p.18759-18767

2012

Volltextzugriff (PDF)

High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model

Physical review. B, Condensed matter and materials physics, 2014-11, Vol.90 (17), Article 174107

2014

Volltextzugriff (PDF)

The AFLOW standard for high-throughput materials science calculations

Computational materials science, 2015-10, Vol.108 (PA), p.233-238

2015

Volltextzugriff (PDF)

Role of Coverage and Surface Oxidation Degree in the Adsorption of Acetone on TiO2 (110). A Density Functional Study

Journal of physical chemistry. C, 2009-11, Vol.113 (46), p.19973-19980

2009

Volltextzugriff (PDF)

Charting the complete elastic properties of inorganic crystalline compounds

Scientific data, 2015-03, Vol.2 (1), p.150009-150009, Article 150009

2015

Volltextzugriff (PDF)

Ceria(100) Nanotubes with Negative Strain Energy: A First-Principles Prediction

The journal of physical chemistry letters, 2012-08, Vol.3 (15), p.2092-2096

2012

Volltextzugriff (PDF)

Catalytic activity of PtCu intermetallic compound for CO oxidation: A theoretical insight

Catalysis today, 2022-01, Vol.383, p.339-344

2022

Volltextzugriff (PDF)

Vinyl Acetate Synthesis on Homogeneous and Heterogeneous Pd-Based Catalysts: A Theoretical Analysis on the Reaction Mechanisms

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-10, Vol.113 (43), p.11758-11762

2009

Volltextzugriff (PDF)

Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity

Topics in catalysis, 2011-03, Vol.54 (1-4), p.219-228

2011

Volltextzugriff (PDF)

Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal–Oxide Interface and the Mechanism of the WGS Reaction

ACS catalysis, 2016-07, Vol.6 (7), p.4608-4615

2016

Volltextzugriff (PDF)

A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: the case of the highly active metal/CeOx/TiO2(110) catalysts

The Journal of chemical physics, 2010-03, Vol.132 (10), p.104703-104703

2010

Volltextzugriff (PDF)

Communication: improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons

The Journal of chemical physics, 2012-01, Vol.136 (4), p.041101-041101

2012

Volltextzugriff (PDF)

Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces

Theoretical chemistry accounts, 2013-02, Vol.132 (2), Article 1311

2013

Volltextzugriff (PDF)

High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary Skutterudites

ACS applied materials & interfaces, 2024-01, Vol.16 (4), p.4606-4617

2024

Volltextzugriff (PDF)

Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-08, Vol.11 (31), p.16734-16742

2023

Volltextzugriff (PDF)

Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials

ACS applied materials & interfaces, 2024-06, Vol.16 (22), p.28590-28598

2024

Volltextzugriff (PDF)

Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-09, Vol.1 (37), p.19941-19952

2022

Volltextzugriff (PDF)

Challenges Reconciling Theory and Experiments in the Prediction of Lattice Thermal Conductivity: The Case of Cu-Based Sulvanites

Chemistry of materials, 2024-09, Vol.36 (18), p.8704-8713

2024

Volltextzugriff (PDF)

1 – 25 von 194

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(173)
Mit Volltextzugriff
(175)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(124)
Life Sciences & Biomedicine
(72)
Humans
(46)
Physical Sciences
(37)
Female
(36)
Male
(36)
Technology
(33)
Chemistry
(31)
Chemistry, Physical
(26)
Materials Science
(26)
Middle Aged
(26)
Aged
(24)
Materials Science, Multidisciplinary
(24)
Biological And Medical Sciences
(19)
Adult
(17)
Science & Technology - Other Topics
(17)
Mortality
(15)
Physics
(15)
Respiratory System
(13)
Risk Factors
(13)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

Transport Properties in the CeO2–x (111) Surface: From Charge Distribution to Ion-Electron Collaborative Migration

Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study

Nature of the Mixed-Oxide Interface in Ceria–Titania Catalysts: Clusters, Chains, and Nanoparticles

Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: The Case of CeO2 and Ce2O3

Structural, electronic and optical properties of copper, silver and gold sulfide: a DFT study

Understanding the Interplay of Dopants, Interfaces, and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures

Structural Defects in W-Doped TiO2 (101) Anatase Surface: Density Functional Study

Making Photo-selective TiO2 Materials by Cation–Anion Codoping: From Structure and Electronic Properties to Photoactivity

High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model

The AFLOW standard for high-throughput materials science calculations

Role of Coverage and Surface Oxidation Degree in the Adsorption of Acetone on TiO2 (110). A Density Functional Study

Charting the complete elastic properties of inorganic crystalline compounds

Ceria(100) Nanotubes with Negative Strain Energy: A First-Principles Prediction

Catalytic activity of PtCu intermetallic compound for CO oxidation: A theoretical insight

Vinyl Acetate Synthesis on Homogeneous and Heterogeneous Pd-Based Catalysts: A Theoretical Analysis on the Reaction Mechanisms

Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity

Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal–Oxide Interface and the Mechanism of the WGS Reaction

A theoretical insight into the catalytic effect of a mixed-metal oxide at the nanometer level: the case of the highly active metal/CeOx/TiO2(110) catalysts

Communication: improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons

Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces

High-Throughput Prediction of the Thermal and Electronic Transport Properties of Large Physical and Chemical Spaces Accelerated by Machine Learning: Charting the ZT of Binary Skutterudites

Harnessing the unusually strong improvement of thermoelectric performance of AgInTe2 with nanostructuring

Design Principles Guided by DFT Calculations and High-Throughput Frameworks for the Discovery of New Diamond-like Chalcogenide Thermoelectric Materials

Unraveling the role of chemical composition in the lattice thermal conductivity of oxychalcogenides as thermoelectric materials

Challenges Reconciling Theory and Experiments in the Prediction of Lattice Thermal Conductivity: The Case of Cu-Based Sulvanites

Suchergebnisse filtern