Thermodynamic Modeling of Oxidation of Tin Nanoparticles

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F19%3A43918274" target="_blank" >RIV/60461373:22310/19:43918274 - isvavai.cz</a>

Výsledek na webu

<a href="https://link.springer.com/article/10.1007/s11669-018-0686-4" target="_blank" >https://link.springer.com/article/10.1007/s11669-018-0686-4</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s11669-018-0686-4" target="_blank" >10.1007/s11669-018-0686-4</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Thermodynamic Modeling of Oxidation of Tin Nanoparticles

Popis výsledku v původním jazyce

A thorough thermodynamic analysis of oxidation of tin nanoparticles was performed. Solid tin oxides SnO2, Sn3O4 and SnO were considered according to the bulk phase diagram and a number of experimental results on tin nanostructures oxidation were taken into account in the assessment. Two equilibrium models with different spatial configuration, namely two single-component particles and core–shell model were explored. The surface energies for solid SnO and Sn3O4 were obtained on the basis of DFT calculations while the interfacial energies at SnO2(s)/Sn(l) and Sn3O4(s)/Sn(l) interfaces were assessed using a broken bond approximation. The opposite influence of nanosizing on stability of SnO2 and SnO/Sn3O4 oxides is demonstrated. It is due to the surface contribution which is higher for SnO2(s) than Sn(l) while lower for SnO(s) and Sn3O4(s) compared to Sn(l). This situation can explain some experimental findings during oxidation of Sn nanoparticles, namely an increased stability of SnO(s) and Sn3O4(s) with respect to both liquid tin and solid tin dioxide. © 2018, ASM International.

Název v anglickém jazyce

Thermodynamic Modeling of Oxidation of Tin Nanoparticles

Popis výsledku anglicky

A thorough thermodynamic analysis of oxidation of tin nanoparticles was performed. Solid tin oxides SnO2, Sn3O4 and SnO were considered according to the bulk phase diagram and a number of experimental results on tin nanostructures oxidation were taken into account in the assessment. Two equilibrium models with different spatial configuration, namely two single-component particles and core–shell model were explored. The surface energies for solid SnO and Sn3O4 were obtained on the basis of DFT calculations while the interfacial energies at SnO2(s)/Sn(l) and Sn3O4(s)/Sn(l) interfaces were assessed using a broken bond approximation. The opposite influence of nanosizing on stability of SnO2 and SnO/Sn3O4 oxides is demonstrated. It is due to the surface contribution which is higher for SnO2(s) than Sn(l) while lower for SnO(s) and Sn3O4(s) compared to Sn(l). This situation can explain some experimental findings during oxidation of Sn nanoparticles, namely an increased stability of SnO(s) and Sn3O4(s) with respect to both liquid tin and solid tin dioxide. © 2018, ASM International.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10402 - Inorganic and nuclear chemistry

Projekt

<a href="/cs/project/GA17-13161S" target="_blank" >GA17-13161S: Vliv nestechiometrie a nanostrukturování na materiálové vlastnosti oxidů kovů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2019

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Phase Equilibria and Diffusion

ISSN

1547-7037

e-ISSN

—

Svazek periodika

40

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

10-20

Kód UT WoS článku

000458154000003

EID výsledku v databázi Scopus

2-s2.0-85055720577