scholarly journals Hydration Mechanisms in Nanoparticle Interaction and Surface Energetics

2020 ◽  
Author(s):  
Dusan Bratko
Keyword(s):  
Surface Energetics

pyGAPS: A Python-Based Framework for Adsorption Isotherm Processing and Material Characterisation

2019 ◽  
Author(s):  
Paul Iacomi ◽  
Philip L. Llewellyn
Keyword(s):  
Pore Size Distribution ◽  
Pore Size ◽  
Size Distribution ◽  
Surface Area ◽  
Isosteric Heat ◽  
Material Characterisation ◽  
Mixture Adsorption ◽  
Surface Energetics ◽  
Adsorption Processing ◽  
User Friendly

Material characterisation through adsorption is a widely-used laboratory technique. The isotherms obtained through volumetric or gravimetric experiments impart insight through their features but can also be analysed to determine material characteristics such as specific surface area, pore size distribution, surface energetics, or used for predicting mixture adsorption. The pyGAPS (python General Adsorption Processing Suite) framework was developed to address the need for high-throughput processing of such adsorption data, independent of the origin, while also being capable of presenting individual results in a user-friendly manner. It contains many common characterisation methods such as: BET and Langmuir surface area, t and α plots, pore size distribution calculations (BJH, Dollimore-Heal, Horvath-Kawazoe, DFT/NLDFT kernel fitting), isosteric heat calculations, IAST calculations, isotherm modelling and more, as well as the ability to import and store data from Excel, CSV, JSON and sqlite databases. In this work, a description of the capabilities of pyGAPS is presented. The code is then be used in two case studies: a routine characterisation of a UiO-66(Zr) sample and in the processing of an adsorption dataset of a commercial carbon (Takeda 5A) for applications in gas separation.

Hematite Photoanodes for Water Oxidation ‐ Electronic Transitions, Carrier Dynamics, and Surface Energetics

2021 ◽  
Author(s):  
Jingguo Li ◽  
Hang Chen ◽  
Carlos A. Triana ◽  
Greta Ricarda Patzke
Keyword(s):  
Water Oxidation ◽  
Carrier Dynamics ◽  
Electronic Transitions ◽  
Surface Energetics

scholarly journals Dynamics of Monolayer Growth in Vapor–Liquid–Solid GaAs Nanowires Based on Surface Energy Minimization

Nanomaterials ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 1681
Author(s):  
Hadi Hijazi ◽  
Vladimir G. Dubrovskii
Keyword(s):  
Surface Energy ◽  
Continuous Process ◽  
Vapor Liquid Solid ◽  
Gaas Nanowires ◽  
Monolayer Growth ◽  
Surface Energetics ◽  
Monolayer Expansion ◽  
Vapor Liquid Solid Growth ◽  
Vapor Liquid

The vapor–liquid–solid growth of III-V nanowires proceeds via the mononuclear regime, where only one island nucleates in each nanowire monolayer. The expansion of the monolayer is governed by the surface energetics depending on the monolayer size. Here, we study theoretically the role of surface energy in determining the monolayer morphology at a given coverage. The optimal monolayer configuration is obtained by minimizing the surface energy at different coverages for a set of energetic constants relevant for GaAs nanowires. In contrast to what has been assumed so far in the growth modeling of III-V nanowires, we find that the monolayer expansion may not be a continuous process. Rather, some portions of the already formed monolayer may dissolve on one of its sides, with simultaneous growth proceeding on the other side. These results are important for fundamental understanding of vapor–liquid–solid growth at the atomic level and have potential impacts on the statistics within the nanowire ensembles, crystal phase, and doping properties of III-V nanowires.

Hematite Photoanodes for Water Oxidation: Electronic Transitions, Carrier Dynamics, and Surface Energetics

2021 ◽  
Author(s):  
Jingguo Li ◽  
Hang Chen ◽  
Carlos A. Triana ◽  
Greta R. Patzke
Keyword(s):  
Water Oxidation ◽  
Carrier Dynamics ◽  
Electronic Transitions ◽  
Surface Energetics

Interaction of gibbsite with oleic acid: Surface energetics and modelling

2012 ◽  
Vol 104-105 ◽  
pp. 24-30 ◽  
Author(s):  
A. Thilagam ◽  
K. Kaplun ◽  
J. Li ◽  
A.R. Gerson
Keyword(s):  
Oleic Acid ◽  
Surface Energetics

Assessing short-range membrane–colloid interactions using surface energetics

2002 ◽  
Vol 203 (1-2) ◽  
pp. 257-273 ◽  
Author(s):  
J Brant
Keyword(s):  
Short Range ◽  
Surface Energetics ◽  
Colloid Interactions

Operando Potential-Sensing at the Semiconductor-Liquid Junctions: Tracking the Surface Energetics and Interfacial Kinetics during Photoelectrosynthetic Reactions

2018 ◽  
Author(s):  
Nestor Guijarro ◽  
Yongpeng Liu ◽  
Florian Le Formal ◽  
Liang Yao ◽  
Kevin Sivula
Keyword(s):  
Interfacial Kinetics ◽  
Surface Energetics

A photo-(electro)-catalytic system illustrating the effect of lithium ions on titania surface energetics and charge transfer

2015 ◽  
Vol 755 ◽  
pp. 143-150 ◽  
Author(s):  
Alessandra Molinari ◽  
Andrea Maldotti ◽  
Rossano Amadelli
Keyword(s):  
Charge Transfer ◽  
Catalytic System ◽  
Lithium Ions ◽  
Surface Energetics ◽  
Titania Surface

scholarly journals Surface energetics and protein-protein interactions: analysis and mechanistic implications

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Claudio Peri ◽  
Giulia Morra ◽  
Giorgio Colombo
Keyword(s):  
Protein Interactions ◽  
Protein Protein Interactions ◽  
Surface Energetics
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