A DFT Structural Investigation of New Bimetallic PtSnx Surface Alloys Formed on the Pt(110) Surface and Their Interaction with Carbon Monoxide

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F16%3A10334384" target="_blank" >RIV/00216208:11320/16:10334384 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.jpcc.6b06638" target="_blank" >http://dx.doi.org/10.1021/acs.jpcc.6b06638</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.6b06638" target="_blank" >10.1021/acs.jpcc.6b06638</a>

Jazyk výsledku

angličtina

Název v původním jazyce

A DFT Structural Investigation of New Bimetallic PtSnx Surface Alloys Formed on the Pt(110) Surface and Their Interaction with Carbon Monoxide

Popis výsledku v původním jazyce

Two surface alloys with p(3 x 1) and p(6 x 1) periodicity have been identified after the deposition of metallic Sn on the (1 x 2)-Pt(110) surface. These two structures have been characterized by low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and photoemission spectroscopy. Based on the experimental results and density functional theory (DFT) calculations, we propose atomic models for these surface alloys, which both consist of a highly corrugated row structure with a very similar surface motif. CO temperature-programmed desorption (TPD) experiments indicate that CO desorbs from the PtSnx surfaces at about 415-425 K compared to 495 K on the clean Pt(110). The energetics and geometry of the CO chemisorption sites have been studied by DFT calculations, obtaining an adsorption energy of 0.7-0.86 eV on p(3 x 1) and 0.9-1.05 eV on p(6 x 1). Overall our theoretical and experimental results indicate that the introduction of Sn strongly reduces the CO adsorption energy on the (110) oriented PtSnx surfaces.

Název v anglickém jazyce

A DFT Structural Investigation of New Bimetallic PtSnx Surface Alloys Formed on the Pt(110) Surface and Their Interaction with Carbon Monoxide

Popis výsledku anglicky

Two surface alloys with p(3 x 1) and p(6 x 1) periodicity have been identified after the deposition of metallic Sn on the (1 x 2)-Pt(110) surface. These two structures have been characterized by low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and photoemission spectroscopy. Based on the experimental results and density functional theory (DFT) calculations, we propose atomic models for these surface alloys, which both consist of a highly corrugated row structure with a very similar surface motif. CO temperature-programmed desorption (TPD) experiments indicate that CO desorbs from the PtSnx surfaces at about 415-425 K compared to 495 K on the clean Pt(110). The energetics and geometry of the CO chemisorption sites have been studied by DFT calculations, obtaining an adsorption energy of 0.7-0.86 eV on p(3 x 1) and 0.9-1.05 eV on p(6 x 1). Overall our theoretical and experimental results indicate that the introduction of Sn strongly reduces the CO adsorption energy on the (110) oriented PtSnx surfaces.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

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Projekt

<a href="/cs/project/LM2015057" target="_blank" >LM2015057: Laboratoř fyziky povrchů – Optická dráha pro výzkum materiálů</a><br>

Návaznosti

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

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

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Svazek periodika

120

Číslo periodika v rámci svazku

44

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

11

Strana od-do

25306-25316

Kód UT WoS článku

000387737900016

EID výsledku v databázi Scopus

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