Adsorption structure of adenine on cerium oxide

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F20%3A10415417" target="_blank" >RIV/00216208:11320/20:10415417 - isvavai.cz</a>

Výsledek na webu

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=l-vrQF67QW" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=l-vrQF67QW</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.apsusc.2020.147257" target="_blank" >10.1016/j.apsusc.2020.147257</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Adsorption structure of adenine on cerium oxide

Popis výsledku v původním jazyce

The adsorption of adenine on the CeO2(1 1 1)/Cu(1 1 1) surface in vacuum was studied by photoelectron spectroscopy, resonant photoelectron spectroscopy and near-edge X-ray absorption fine structure spectroscopy, and the present work describes in detail the bonding of the molecule to the ordered stoichiometric cerium dioxide film. The experimental findings were supported by density functional theory (DFT + U) analysis of different adsorption geometries of adenine on CeO2(1 1 1). The phase with adenine lying flat on the surface dominates on CeO2(1 1 1) up to 0.1 monolayer (ML) of adenine coverage. The mobility of single molecules was apparently sufficiently high to allow diffusion and formation of chain structures, which were observed to be stable in the temperature range from 25 to 250 degrees C. Beyond 0.1 ML, adenine molecules adsorb predominantly in an upright orientation. This phase, stable up to 120 degrees C, is according to theory stabilised via N3/Ce4+ and N9H/O2-. It was further complemented by experimental findings demonstrating free N10H(2) groups in adsorbed molecules. Thus, the saturation coverage of adenine on CeO2(1 1 1), 0.23 ML, is most likely characterised by a combination of parallel and upright bound molecules.

Název v anglickém jazyce

Adsorption structure of adenine on cerium oxide

Popis výsledku anglicky

The adsorption of adenine on the CeO2(1 1 1)/Cu(1 1 1) surface in vacuum was studied by photoelectron spectroscopy, resonant photoelectron spectroscopy and near-edge X-ray absorption fine structure spectroscopy, and the present work describes in detail the bonding of the molecule to the ordered stoichiometric cerium dioxide film. The experimental findings were supported by density functional theory (DFT + U) analysis of different adsorption geometries of adenine on CeO2(1 1 1). The phase with adenine lying flat on the surface dominates on CeO2(1 1 1) up to 0.1 monolayer (ML) of adenine coverage. The mobility of single molecules was apparently sufficiently high to allow diffusion and formation of chain structures, which were observed to be stable in the temperature range from 25 to 250 degrees C. Beyond 0.1 ML, adenine molecules adsorb predominantly in an upright orientation. This phase, stable up to 120 degrees C, is according to theory stabilised via N3/Ce4+ and N9H/O2-. It was further complemented by experimental findings demonstrating free N10H(2) groups in adsorbed molecules. Thus, the saturation coverage of adenine on CeO2(1 1 1), 0.23 ML, is most likely characterised by a combination of parallel and upright bound molecules.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10305 - Fluids and plasma physics (including surface physics)

Projekt

<a href="/cs/project/LM2018116" target="_blank" >LM2018116: Laboratoř fyziky povrchů - Optická dráha pro výzkum materiálů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

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

Název periodika

Applied Surface Science

ISSN

0169-4332

e-ISSN

—

Svazek periodika

530

Číslo periodika v rámci svazku

Nov

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

9

Strana od-do

147257

Kód UT WoS článku

000562341900003

EID výsledku v databázi Scopus

2-s2.0-85088385033