Adsorption of ethyl ether on graphene/silicon – Theory and experiment

IF 1.8 4区化学 Q3 CHEMISTRY, PHYSICAL

Surface Science Pub Date : 2025-06-28 DOI:10.1016/j.susc.2025.122808

T. Stach , Md Arif Uddin , Uwe Burghaus , Trung T. Pham , Robert Sporken , Abdolvahab Seif , Alberto Ambrosetti , Pier Luigi Silvestrelli

引用次数: 0

Abstract

Adsorption of ethyl ether, CH₃CH₂–O–CH₂CH₃ (or C₄H₁₀O or (CH₃CH₂)₂O), on graphene/Si(111) (hereafter Gr/Si(111)) was characterized by kinetics (multi-mass thermal desorption spectroscopy (TDS), steady-state rate measurements) and spectroscopic (Auger electron spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy) techniques as well as by density functional theory calculations (DFT) as a potential metal-free catalyst. TDS results agree with the expected fragmentation pattern of molecular ethyl ether. AES and XPS spectra collected after ethyl ether adsorption are identical with data for pristine Gr/Si(111). Therefore, ethyl ether adsorbs molecularly, consistent with large activation energies for dissociation calculated by the DFT.

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乙醚在石墨烯/硅上的吸附——理论与实验

通过动力学（多质量热解吸光谱（TDS）、稳态速率测量）、光谱（埃格电子能谱（AES）、x射线光电子能谱（XPS）、拉曼光谱）技术以及密度泛函理论计算（DFT），表征了乙醚CH3CH2 - o - ch2ch3（或C4H10O或（CH3CH2）2O）在石墨烯/Si(111)（以下简称Gr/Si(111)）上作为潜在无金属催化剂的吸附特性。TDS结果与预期的乙醚分子断裂模式一致。乙醚吸附后收集的AES和XPS光谱与原始Gr/Si（111）的数据一致。因此，乙醚在分子上吸附，这与DFT计算的解离活化能大一致。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Surface Science 化学-物理：凝聚态物理

CiteScore

3.30

自引率

5.30%

发文量

137

审稿时长

25 days

期刊介绍： Surface Science is devoted to elucidating the fundamental aspects of chemistry and physics occurring at a wide range of surfaces and interfaces and to disseminating this knowledge fast. The journal welcomes a broad spectrum of topics, including but not limited to: • model systems (e.g. in Ultra High Vacuum) under well-controlled reactive conditions • nanoscale science and engineering, including manipulation of matter at the atomic/molecular scale and assembly phenomena • reactivity of surfaces as related to various applied areas including heterogeneous catalysis, chemistry at electrified interfaces, and semiconductors functionalization • phenomena at interfaces relevant to energy storage and conversion, and fuels production and utilization • surface reactivity for environmental protection and pollution remediation • interactions at surfaces of soft matter, including polymers and biomaterials. Both experimental and theoretical work, including modeling, is within the scope of the journal. Work published in Surface Science reaches a wide readership, from chemistry and physics to biology and materials science and engineering, providing an excellent forum for cross-fertilization of ideas and broad dissemination of scientific discoveries.