UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 2.654

Sortiert nach

Synergy between Fe and Ni in the optimal performance of (Ni,Fe)OOH catalysts for the oxygen evolution reaction

Proceedings of the National Academy of Sciences - PNAS, 2018-06, Vol.115 (23), p.5872-5877

2018

Link zum Volltext

Verfügbarkeit prüfen

Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes

Journal of the American Chemical Society, 2016-12, Vol.138 (49), p.15853-15856

2016

Link zum Volltext

Verfügbarkeit prüfen

Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K

Proceedings of the National Academy of Sciences - PNAS, 2017-02, Vol.114 (8), p.1795-1800

2017

Link zum Volltext

Verfügbarkeit prüfen

Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals

Proceedings of the National Academy of Sciences - PNAS, 2016-04, Vol.113 (14), p.3735-3739

2016

Link zum Volltext

Verfügbarkeit prüfen

High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting

Nature communications, 2018-06, Vol.9 (1), p.2551-9, Article 2551

2018

Link zum Volltext

Verfügbarkeit prüfen

Theoretical predictions for hot-carrier generation from surface plasmon decay

Nature communications, 2014-12, Vol.5 (1), p.5788-5788, Article 5788

2014

Link zum Volltext

Verfügbarkeit prüfen

Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH

Journal of the American Chemical Society, 2018-06, Vol.140 (25), p.7787-7790

2018

Link zum Volltext

Verfügbarkeit prüfen

Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)

Journal of the American Chemical Society, 2016-01, Vol.138 (2), p.483-486

2016

Link zum Volltext

Verfügbarkeit prüfen

In Silico Discovery of New Dopants for Fe-Doped Ni Oxyhydroxide (Ni1–x Fe x OOH) Catalysts for Oxygen Evolution Reaction

Journal of the American Chemical Society, 2018-06, Vol.140 (22), p.6745-6748

2018

Link zum Volltext

Verfügbarkeit prüfen

Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0

The journal of physical chemistry letters, 2015-12, Vol.6 (23), p.4767-4773

2015

Link zum Volltext

Verfügbarkeit prüfen

Monolayer atomic crystal molecular superlattices

Nature (London), 2018-03, Vol.555 (7695), p.231-236

2018

Link zum Volltext

Verfügbarkeit prüfen

Silicon nanowires as efficient thermoelectric materials

Nature, 2008-01, Vol.451 (7175), p.168-171

2008

Link zum Volltext

Verfügbarkeit prüfen

The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

The Journal of chemical physics, 2015-02, Vol.142 (6), p.064107-064107

2015

Link zum Volltext

Verfügbarkeit prüfen

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

The Journal of chemical physics, 2017-03, Vol.146 (11), p.114104-114104

2017

Link zum Volltext

Verfügbarkeit prüfen

Atomistic explanation of shear-induced amorphous band formation in boron carbide

Physical review letters, 2014-08, Vol.113 (9), p.095501-095501, Article 095501

2014

Link zum Volltext

Verfügbarkeit prüfen

Atomistic Explanation of the Dramatically Improved Oxygen Reduction Reaction of Jagged Platinum Nanowires, 50 Times Better than Pt

Journal of the American Chemical Society, 2020-05, Vol.142 (19), p.8625-8632

2020

Link zum Volltext

Verfügbarkeit prüfen

Resolution of the Band Gap Prediction Problem for Materials Design

The journal of physical chemistry letters, 2016-04, Vol.7 (7), p.1198-1203

2016

Link zum Volltext

Verfügbarkeit prüfen

Nonradiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces, and Geometry

ACS nano, 2016-01, Vol.10 (1), p.957-966

2016

Link zum Volltext

Verfügbarkeit prüfen

Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction

Science (American Association for the Advancement of Science), 2016-12, Vol.354 (6318), p.1414-1419

2016

Link zum Volltext

Verfügbarkeit prüfen

Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics

Proceedings of the National Academy of Sciences - PNAS, 2019-04, Vol.116 (16), p.7718-7722

2019

Link zum Volltext

Verfügbarkeit prüfen

Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (1), p.201-209

2017

Link zum Volltext

Verfügbarkeit prüfen

Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics

Proceedings of the National Academy of Sciences - PNAS, 2009-03, Vol.106 (13), p.4963-4968

2009

Link zum Volltext

Verfügbarkeit prüfen

Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

The journal of physical chemistry. B, 2008-08, Vol.112 (32), p.9709-9719

2008

Link zum Volltext

Verfügbarkeit prüfen

Reaction Mechanism and Kinetics for Ammonia Synthesis on the Fe(111) Surface

Journal of the American Chemical Society, 2018-05, Vol.140 (20), p.6288-6297

2018

Link zum Volltext

Verfügbarkeit prüfen

fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

Proceedings of the National Academy of Sciences - PNAS, 2011-12, Vol.108 (50), p.19896-19900

2011

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 2.654

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(2.063)
Mit Volltextzugriff
(2.308)

Publikationsform

5 weitere anzeigen...

Weniger anzeigen...

Sprache

Englisch
(2.625)
Japanisch
(431)
Deutsch
(13)
Französisch
(2)
Russisch
(1)

Erscheinungsjahr

n.n

Thema

Science & Technology
(1.475)
Physical Sciences
(1.062)
Chemistry
(881)
Chemistry, Physical
(500)
Physics
(459)
Materials Science
(397)
Technology
(392)
Materials Science, Multidisciplinary
(309)
Science & Technology - Other Topics
(304)
Life Sciences & Biomedicine
(292)
Chemistry, Multidisciplinary
(289)
Physics, Atomic, Molecular & Chemical
(230)
Elizabethan Period, 1558-1603
(222)
Jacobean And Caroline Period, 1603-1660
(222)
Renaissance Period, 1500-1660
(222)
Tudor Period, 1500-1603
(222)
Humans
(216)
Exact Sciences And Technology
(207)
Nanoscience & Nanotechnology
(187)
Catalysis
(169)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Synergy between Fe and Ni in the optimal performance of (Ni,Fe)OOH catalysts for the oxygen evolution reaction

Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes

Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K

Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals

High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting

Theoretical predictions for hot-carrier generation from surface plasmon decay

Explanation of Dramatic pH-Dependence of Hydrogen Binding on Noble Metal Electrode: Greatly Weakened Water Adsorption at High pH

Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu (111)

In Silico Discovery of New Dopants for Fe-Doped Ni Oxyhydroxide (Ni1–x Fe x OOH) Catalysts for Oxygen Evolution Reaction

Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0

Monolayer atomic crystal molecular superlattices

Silicon nanowires as efficient thermoelectric materials

The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

Atomistic explanation of shear-induced amorphous band formation in boron carbide

Atomistic Explanation of the Dramatically Improved Oxygen Reduction Reaction of Jagged Platinum Nanowires, 50 Times Better than Pt

Resolution of the Band Gap Prediction Problem for Materials Design

Nonradiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces, and Geometry

Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction

Reaction intermediates during operando electrocatalysis identified from full solvent quantum mechanics molecular dynamics

Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots

Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics

Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

Reaction Mechanism and Kinetics for Ammonia Synthesis on the Fe(111) Surface

fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

Suchergebnisse filtern