UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 508

Sortiert nach

DFT based study of transition metal nano-clusters for electrochemical NH3 production

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (20), p.7785-7795

2013

Link zum Volltext

Verfügbarkeit prüfen

Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

The Journal of chemical physics, 2010-02, Vol.132 (7), p.071101-071101

2010

Link zum Volltext

Verfügbarkeit prüfen

DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries

Journal of physical chemistry. C, 2013-03, Vol.117 (11), p.5568-5577

2013

Link zum Volltext

Verfügbarkeit prüfen

Electrochemical ammonia production on molybdenum nitride nanoclusters

Physical chemistry chemical physics : PCCP, 2013-12, Vol.15 (48), p.20957-20965

2013

Link zum Volltext

Verfügbarkeit prüfen

Structural stability and decomposition of Mg(BH(4))(2) isomorphs-an ab initio free energy study

Journal of physics. Condensed matter, 2009-01, Vol.21 (1), p.012203-012203

2009

Link zum Volltext

Verfügbarkeit prüfen

DFT+U study of CO2 reduction and CO oxidation on a reconstructed CeO2−x(110) facet

Materials today advances, 2020-12, Vol.8, p.100111, Article 100111

2020

Link zum Volltext

Verfügbarkeit prüfen

Simple descriptors for proton-conducting perovskites from density functional theory

Physical review. B, Condensed matter and materials physics, 2010-07, Vol.82 (1), Article 014103

2010

Link zum Volltext

Verfügbarkeit prüfen

Molecular dynamics simulations of ternary PtxPdyAuz fuel cell nanocatalyst growth

International journal of hydrogen energy, 2016-12, Vol.41 (47), p.22589-22597

2016

Link zum Volltext

Verfügbarkeit prüfen

Structural stability and decomposition of Mg(BH4)2 isomorphs—an ab initio free energy study

Journal of physics. Condensed matter, 2009-01, Vol.21 (1), p.012203-012203 (7)

2009

Link zum Volltext

Verfügbarkeit prüfen

Dehydrogenation kinetics of as-received and ball-milled LiAlH4

Journal of solid state chemistry, 2005-12, Vol.178 (12), p.3672-3678

2005

Link zum Volltext

Verfügbarkeit prüfen

Reversibility of Al/Ti Modified LiBH4

Journal of physical chemistry. C, 2009-08, Vol.113 (31), p.14059-14066

2009

Link zum Volltext

Verfügbarkeit prüfen

Analysis of the decomposition gases from α and β-Cd(BH4)2 synthesized by temperature controlled mechanical milling

Journal of alloys and compounds, 2013-01, Vol.547, p.76-80

2013

Link zum Volltext

Verfügbarkeit prüfen

Experimental and computational studies on structural transitions in the LiBH4–LiI pseudobinary system

Applied physics letters, 2009-04, Vol.94 (14)

2009

Link zum Volltext

Verfügbarkeit prüfen

Hydrogen Rotational and Translational Diffusion in Calcium Borohydride from Quasielastic Neutron Scattering and DFT Calculations

Journal of physical chemistry. C, 2010-12, Vol.114 (47), p.20249-20257

2010

Link zum Volltext

Verfügbarkeit prüfen

Locating the rate-limiting step for the interaction of hydrogen with Mg(0001) using density-functional theory calculations and rate theory

Physical review. B, Condensed matter and materials physics, 2004-07, Vol.70 (3), p.035412.1-035412.7, Article 035412

VEGGE, Tejs

2004

Link zum Volltext

Verfügbarkeit prüfen

Hydrogen Dynamics in Na3AlH6: A Combined Density Functional Theory and Quasielastic Neutron Scattering Study

The journal of physical chemistry. B, 2007-04, Vol.111 (15), p.3886-3892

2007

Link zum Volltext

Verfügbarkeit prüfen

Lithium salts for advanced lithium batteries: Li-metal, Li-O2, and Li-S

Energy & environmental science, 2015-07, Vol.8 (7), p.195-1922

2015

Link zum Volltext

Verfügbarkeit prüfen

Point defect dynamics in sodium aluminum hydrides—A combined quasielastic neutron scattering and density functional theory study

Journal of alloys and compounds, 2007-10, Vol.446, p.469-473

2007

Link zum Volltext

Verfügbarkeit prüfen

Artificial Intelligence Applied to Battery Research: Hype or Reality?

Chemical reviews, 2022-06, Vol.122 (12), p.10899-10969

2022

Link zum Volltext

Verfügbarkeit prüfen

The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7- delta pyrochlore from DFT calculations and FTIR spectroscopy

Journal of applied physics, 2012, Vol.112 (3)

2012

Link zum Volltext

Verfügbarkeit prüfen

Determination of the of rate cross slip of screw dislocations

Physical review letters, 2000-10, Vol.85 (18), p.3866-3869

2000

Link zum Volltext

Verfügbarkeit prüfen

Dehydrogenation kinetics of air-exposed MgH2/Mg2Cu and MgH2/MgCu2 studied with in situ X-ray powder diffraction

Applied physics. A, Materials science & processing, 2006-03, Vol.82 (3), p.515-521

2006

Link zum Volltext

Verfügbarkeit prüfen

Atomic-scale simulations of the mechanical deformation of nanocrystalline metals

Physical review. B, Condensed matter, 1999-11, Vol.60 (17), p.11971-11983

1999

Link zum Volltext

Verfügbarkeit prüfen

Structural stability of complex hydrides: LiBH4 revisited

Physical review letters, 2004-10, Vol.93 (14), p.145501.1-145501.4

2004

Link zum Volltext

Verfügbarkeit prüfen

Instability of Ionic Liquid-Based Electrolytes in Li–O2 Batteries

Journal of physical chemistry. C, 2015-07, Vol.119 (32), p.18084

2015

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 508

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(410)
Mit Volltextzugriff
(481)

Publikationsform

1 weiteren anzeigen...

Weniger anzeigen...

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(258)
Physical Sciences
(163)
Chemistry
(142)
Chemistry, Physical
(104)
Technology
(104)
Materials Science
(82)
Materials Science, Multidisciplinary
(77)
Life Sciences & Biomedicine
(70)
Physics
(68)
Science & Technology - Other Topics
(57)
Animals
(35)
Density Functional Theory
(34)
Chemistry, Multidisciplinary
(33)
Nanoscience & Nanotechnology
(33)
Exact Sciences And Technology
(31)
Humans
(29)
Physics, Atomic, Molecular & Chemical
(27)
Electrochemistry
(25)
Energy & Fuels
(22)
Batteries
(20)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(2)
... seit 90 Tagen
(5)

Menü

Weitere Dienste

Einstellungen

DFT based study of transition metal nano-clusters for electrochemical NH3 production

Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries

Electrochemical ammonia production on molybdenum nitride nanoclusters

Structural stability and decomposition of Mg(BH(4))(2) isomorphs-an ab initio free energy study

DFT+U study of CO2 reduction and CO oxidation on a reconstructed CeO2−x(110) facet

Simple descriptors for proton-conducting perovskites from density functional theory

Molecular dynamics simulations of ternary PtxPdyAuz fuel cell nanocatalyst growth

Structural stability and decomposition of Mg(BH4)2 isomorphs—an ab initio free energy study

Dehydrogenation kinetics of as-received and ball-milled LiAlH4

Reversibility of Al/Ti Modified LiBH4

Analysis of the decomposition gases from α and β-Cd(BH4)2 synthesized by temperature controlled mechanical milling

Experimental and computational studies on structural transitions in the LiBH4–LiI pseudobinary system

Hydrogen Rotational and Translational Diffusion in Calcium Borohydride from Quasielastic Neutron Scattering and DFT Calculations

Locating the rate-limiting step for the interaction of hydrogen with Mg(0001) using density-functional theory calculations and rate theory

Hydrogen Dynamics in Na3AlH6: A Combined Density Functional Theory and Quasielastic Neutron Scattering Study

Lithium salts for advanced lithium batteries: Li-metal, Li-O2, and Li-S

Point defect dynamics in sodium aluminum hydrides—A combined quasielastic neutron scattering and density functional theory study

Artificial Intelligence Applied to Battery Research: Hype or Reality?

The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7- delta pyrochlore from DFT calculations and FTIR spectroscopy

Determination of the of rate cross slip of screw dislocations

Dehydrogenation kinetics of air-exposed MgH2/Mg2Cu and MgH2/MgCu2 studied with in situ X-ray powder diffraction

Atomic-scale simulations of the mechanical deformation of nanocrystalline metals

Structural stability of complex hydrides: LiBH4 revisited

Instability of Ionic Liquid-Based Electrolytes in Li–O2 Batteries

Suchergebnisse filtern