Logsdail, Andrew J : rechercher sur Z-Library

Le plus grand référentiel d'articles scientifiques au monde. 70,000,000+ d'articles gratuitement.

Campagne de collecte 15 septembre 2024 – 1 octobre 2024

Z-Library est une des plus grandes bibliothèques en ligne dans le monde, avec le stockage de plus de 17,000,000 livres et plus de 84,837,000 articles. Nous encourageons l'accès libre de chacun à la littérature. Aujourd'hui (15 septembre 2024) nous faisons un appel de fonds à tous ceux qui veulent contribuer encore plus au soutien et au développement de notre projet.

Les téléchargements SANS LIMITE sont aussi (au cours de 31 jours après la date de don) disponibles pour TOUS les utilisateurs qui soient en mesure de soutenir le projet pendant la période de collecte de fonds jusqu'au 1 octobre 2024.

C'est quoi, la collecte de fonds?En savoir plus

Faire un don

Livres
Articles (39)
Les plus populaires
Liste
- Liste
- Tableau

Band alignment of rutile and anatase TiO2

Scanlon, David O., Dunnill, Charles W., Buckeridge, John, Shevlin, Stephen A., Logsdail, Andrew J., Woodley, Scott M., Catlow, C. Richard A., Powell, Michael. J., Palgrave, Robert G., Parkin, Ivan P.,

Journal:

Nature Materials

Année:

2013

Langue:

english

Fichier:

PDF, 538 KB

english, 2013

Overgrowth of Rhodium on Gold Nanorods

Chantry, Ruth L., Siriwatcharapiboon, Wilai, Horswell, Sarah L., Logsdail, Andrew J., Johnston, Roy L., Li, Z. Y.

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 2.50 MB

english, 2012

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework

Berger, Daniel, Logsdail, Andrew J., Oberhofer, Harald, Farrow, Matthew R., Catlow, C. Richard A., Sherwood, Paul, Sokol, Alexey A., Blum, Volker, Reuter, Karsten

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 983 KB

english, 2014

Tailoring Gold Nanoparticle Characteristics and the Impact on Aqueous-Phase Oxidation of Glycerol

Rogers, Scott M., Catlow, C. Richard A., Chan-Thaw, Carine E., Gianolio, Diego, Gibson, Emma K., Gould, Anna L., Jian, Nan, Logsdail, Andrew J., Palmer, Richard E., Prati, Laura, Dimitratos, Nikolaos,

Journal:

ACS Catalysis

Année:

2015

Langue:

english

Fichier:

PDF, 4.73 MB

english, 2015

An Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment

Lu, You, Farrow, Matthew R., Fayon, Pierre, Logsdail, Andrew J., Sokol, Alexey A., Catlow, C. Richard A., Sherwood, Paul, Keal, Thomas W

Journal:

Journal of Chemical Theory and Computation

Année:

2018

Langue:

english

Fichier:

PDF, 1.46 MB

english, 2018

Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts

Sankar, Meenakshisundaram, He, Qian, Engel, Rebecca V., Sainna, Mala A., Logsdail, Andrew J., Roldan, Alberto, Willock, David J., Agarwal, Nishtha, Kiely, Christopher J., Hutchings, Graham J.

Journal:

Chemical Reviews

Année:

2020

Langue:

english

Fichier:

PDF, 27.40 MB

english, 2020

Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys

Heiles, Sven, Logsdail, Andrew J., Schäfer, Rolf, Johnston, Roy L.

Journal:

Nanoscale

Année:

2012

Langue:

english

Fichier:

PDF, 634 KB

english, 2012

Development and optimization of a novel genetic algorithm for identifying nanoclusters from scanning transmission electron microscopy images

Andrew J. Logsdail, Z. Y. Li, Roy L. Johnston

Journal:

Journal of Computational Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 917 KB

english, 2012

Interdependence of structure and chemical order in high symmetry (PdAu)N nanoclusters

Logsdail, Andrew J., Johnston, Roy L.

Journal:

RSC Advances

Année:

2012

Langue:

english

Fichier:

PDF, 1.67 MB

english, 2012

Faceting preferences for AuN and PdN nanoclusters with high-symmetry motifs

Logsdail, Andrew J., Li, Z. Y., Johnston, Roy L.

Journal:

Physical Chemistry Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 3.11 MB

english, 2013

Improving the Adsorption of Au Atoms and Nanoparticles on Graphite via Li Intercalation

Logsdail, Andrew J., Johnston, Roy. L., Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Année:

2013

Langue:

english

Fichier:

PDF, 3.71 MB

english, 2013

Interaction of Au 16 Nanocluster with Defects in Supporting Graphite: A Density-Functional Study

Logsdail, Andrew J., Akola, Jaakko

Journal:

The Journal of Physical Chemistry C

Année:

2011

Langue:

english

Fichier:

PDF, 5.74 MB

english, 2011

Predicting the Optical Properties of Core–Shell and Janus Segregated Au–M Nanoparticles (M = Ag, Pd)

Logsdail, Andrew J., Johnston, Roy L.

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2012

Designer Titania-Supported Au–Pd Nanoparticles for Efficient Photocatalytic Hydrogen Production

Su, Ren, Tiruvalam, Ramchandra, Logsdail, Andrew J., He, Qian, Downing, Christopher A., Jensen, Mikkel T., Dimitratos, Nikolaos, Kesavan, Lokesh, Wells, Peter P., Bechstein, Ralf, Jensen, Henrik H., W

Journal:

ACS Nano

Année:

2014

Langue:

english

Fichier:

PDF, 512 KB

english, 2014

A Selective Blocking Method To Control the Overgrowth of Pt on Au Nanorods

Fennell, John, He, Dongsheng, Tanyi, Anicetus Muche, Logsdail, Andrew J., Johnston, Roy L., Li, Z. Y., Horswell, Sarah L.

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 2.00 MB

english, 2013

Theoretical and Experimental Studies of the Optical Properties of Conjoined Gold−Palladium Nanospheres

Logsdail, Andrew J., Cookson, Nikki J., Horswell, Sarah L., Wang, Z. W., Li, Z. Y., Johnston, Roy L.

Journal:

The Journal of Physical Chemistry C

Année:

2010

Langue:

english

Fichier:

PDF, 2.68 MB

english, 2010

Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides

Logsdail, Andrew J., Scanlon, David O., Catlow, C. Richard A., Sokol, Alexey A.

Journal:

Physical Review B

Année:

2014

Langue:

english

Fichier:

PDF, 607 KB

english, 2014

Polymorph Engineering of TiO 2 : Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination

Buckeridge, John, Butler, Keith T., Catlow, C. Richard A., Logsdail, Andrew J., Scanlon, David O., Shevlin, Stephen A., Woodley, Scott M., Sokol, Alexey A., Walsh, Aron

Journal:

Chemistry of Materials

Année:

2015

Langue:

english

Fichier:

PDF, 2.84 MB

english, 2015

Morphological Features and Band Bending at Nonpolar Surfaces of ZnO

Mora-Fonz, David, Buckeridge, John, Logsdail, Andrew J., Scanlon, David O., Sokol, Alexey A., Woodley, Scott, Catlow, C. Richard A.

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 5.50 MB

english, 2015

Structural, energetic and electronic properties of (100) surfaces for alkaline earth metal oxides as calculated with hybrid density functional theory

Logsdail, Andrew J., Mora-Fonz, David, Scanlon, David O., Catlow, C. Richard A., Sokol, Alexey A.

Journal:

Surface Science

Année:

2015

Langue:

english

Fichier:

PDF, 706 KB

english, 2015

The Influence of Composition and Chemical Arrangement on the Kinetic Stability of 147-atom Au−Ag Bimetallic Nanoclusters

Gould, Anna Louise, Logsdail, Andrew J., Catlow, C. Richard A.

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 3.17 MB

english, 2015

Structures and Stabilities of Platinum–Gold Nanoclusters

Logsdail, Andrew, Paz-Borbón, Lauro Oliver, Johnston, Roy L.

Journal:

Journal of Computational and Theoretical Nanoscience

Année:

2009

Langue:

english

Fichier:

PDF, 3.94 MB

english, 2009

MODELLING METAL CENTRES, ACID SITES and REACTION MECHANISMS in MICROPOROUS CATALYSTS

O'Malley, Alexander James, Logsdail, Andrew J, Sokol, Alexey A, Catlow, C Richard A

Journal:

Faraday Discussions

Année:

2016

Langue:

english

Fichier:

PDF, 2.37 MB

english, 2016

ChemInform Abstract: Polymorph Engineering of TiO 2 : Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination.

Buckeridge, John, Butler, Keith T., Catlow, C. Richard A., Logsdail, Andrew J., Scanlon, David O., Shevlin, Stephen A., Woodley, Scott M., Sokol, Alexey A., Walsh, Aron

Journal:

ChemInform

Année:

2015

Langue:

english

Fichier:

PDF, 15 KB

english, 2015

Modelling the chemistry of Mn-doped MgO for bulk and (100) surfaces

Logsdail, Andrew J., Downing, Christopher A., Keal, Thomas W., Sherwood, Paul, Sokol, Alexey A., Catlow, C. Richard A.

Journal:

Physical Chemistry Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 3.20 MB

english, 2016

Controlling Structural Transitions in AuAg Nanoparticles Through Precise Compositional Design

Gould, Anna Louise, Rossi, Kevin, Catlow, C. Richard A., Baletto, Francesca, Logsdail, Andrew J.

Journal:

The Journal of Physical Chemistry Letters

Année:

2016

Langue:

english

Fichier:

PDF, 1.79 MB

english, 2016

Magnetic coupling constants for MnO as calculated using hybrid density functional theory

Logsdail, Andrew J., Downing, Christopher A., Catlow, C. Richard A., Sokol, Alexey A.

Journal:

Chemical Physics Letters

Année:

2017

Langue:

english

Fichier:

PDF, 1.05 MB

english, 2017

DFT-Computed Trends in the Properties of Bimetallic Precious-Metal Nanoparticles With Core@shell Segregation

Logsdail, Andrew J., Paz-Borbon, Lauro Oliver, Downing, Christopher A.

Journal:

The Journal of Physical Chemistry C

Année:

2018

Langue:

english

Fichier:

PDF, 2.66 MB

english, 2018

Computational investigation of CO adsorbed on Aux, Agx and (AuAg)x nanoclusters (x = 1 − 5, 147) and monometallic Au and Ag low-energy surfaces

Gould, Anna L., Catlow, C. Richard A., Logsdail, Andrew J.

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Année:

2018

Langue:

english

Fichier:

PDF, 704 KB

english, 2018

From Stable ZnO and GaN Clusters to Novel Double Bubbles and Frameworks

Farrow, Matthew, Buckeridge, John, Catlow, C., Logsdail, Andrew, Scanlon, David, Sokol, Alexey, Woodley, Scott

Journal:

Inorganics

Année:

2014

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2014

Highlights from Faraday Discussion on Designing Nanoparticle Systems for Catalysis, London, UK, May 2018

Arrigo, Rosa, Logsdail, Andrew J., Torrente-Murciano, Laura

Journal:

Chemical Communications

Année:

2018

Langue:

english

Fichier:

PDF, 2.37 MB

english, 2018

Hybrid-DFT Modelling of Lattice and Surface Vacancies in MnO

Logsdail, Andrew J., Downing, Christopher A., Keal, Thomas W, Sherwood, Paul, Sokol, Alexey A., Catlow, C. Richard A.

Journal:

The Journal of Physical Chemistry C

Année:

2018

Langue:

english

Fichier:

PDF, 1.85 MB

english, 2018

Hydride Pinning Pathway in the Hydrogenation of CO2 into Formic Acid on Dimeric Tin Dioxide

Sarma, Plaban Jyoti, Dey Baruah, Satyajit, Logsdail, Andrew, Deka, Ramesh Chandra

Journal:

ChemPhysChem

Année:

2019

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2019

Polymorphism of L‐Tryptophan

Al Rahal, Okba, Hughes, Colan, Williams, Andrew, Logsdail, Andrew J, Diskin-Posner, Yael, Harris, Kenneth David Maclean

Journal:

Angewandte Chemie

Année:

2019

Langue:

english

Fichier:

PDF, 1.53 MB

english, 2019

Polymorphism of L‐Tryptophan

Al Rahal, Okba, Hughes, Colan, Williams, Andrew, Logsdail, Andrew J, Diskin-Posner, Yael, Harris, Kenneth David Maclean

Journal:

Angewandte Chemie

Année:

2019

Fichier:

PDF, 1.53 MB

2019

Methanol loading dependent methoxylation in zeolite H-ZSM-5

Matam, Santhosh K., Nastase, Stefan A. F., Logsdail, Andrew J., Richard. A Catlow, C.

Journal:

Chemical Science

Année:

2020

Fichier:

PDF, 1.92 MB

2020

Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loading and Si/Al ratio using first principles molecular dynamics simulations

Nastase, Stefan A. F., Cnudde, Pieter, Vanduyfhuys, Louis, De Wispelaere, Kristof, Van Speybroeck, Veronique, Catlow, C. Richard A., Logsdail, Andrew J.

Journal:

ACS Catalysis

Année:

2020

Fichier:

PDF, 850 KB

2020

Polymorphism in a Multi-Component Crystal System of Trimesic Acid and t-Butylamine

Yan, Yuncheng, Kariuki, Benson M., Hughes, Colan E., Logsdail, Andrew J., Harris, Kenneth D.M.

Journal:

Crystal Growth & Design

Année:

2020

Fichier:

PDF, 817 KB

2020

Tuning the transition barrier of H2 dissociation in the hydrogenation of CO2 to formic acid on Ti-doped Sn2O4 cluster

Sarma, Plaban Jyoti, Dowerah, Dikshita, Gour, Nand Kishor, Logsdail, Andrew J, Catlow, C. Richard A., Deka, Ramesh

Journal:

Physical Chemistry Chemical Physics

Année:

2020

Fichier:

PDF, 1.81 MB

2020