Suppr超能文献

Crystallographic orientation dependence of work function: carbon adsorption on Au surfaces.

作者信息

Jooya H Z, Fan X, McKay K S, Pappas D P, Hite D A, Sadeghpour H R

机构信息

ITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge, MA, USA.

National Institute of Standards and Technology, Boulder, CO, USA.

出版信息

Mol Phys. 2019;117(15-16). doi: 10.1080/00268976.2019.1603409.

Abstract

We investigate the work function (WF) variation of different Au crystallographic surface orientations with carbon atom adsorption. calculations within density-functional theory are performed on carbon deposited (100), (110), and (111) gold surfaces. The WF behaviour with carbon coverage for the different surface orientations is explained by the resultant electron charge density distributions. The dynamics of carbon adsorption at sub-to-one- monolayer (ML) coverage depends on the landscape of the potential energy surfaces. At higher ML coverage, because of adsorption saturation, the WF will have weak surface orientation dependence. This systematic study has consequential bearing on studies of electric-field noise emanating from polycrystalline gold ion-trap electrodes that have been largely employed in microfabricated electrodes.

摘要

相似文献

1
Crystallographic orientation dependence of work function: carbon adsorption on Au surfaces.
Mol Phys. 2019;117(15-16). doi: 10.1080/00268976.2019.1603409.
2
DNA bases assembled on the Au(110)/electrolyte interface: a combined experimental and theoretical study.
J Phys Chem B. 2015 Feb 19;119(7):3123-34. doi: 10.1021/jp511909f. Epub 2015 Feb 9.
5
The adsorption of single Au atom and nucleation on γ-AlO surfaces.
J Mol Model. 2023 Jan 17;29(2):41. doi: 10.1007/s00894-023-05447-1.
7
Water monomer interaction with gold nanoclusters from van der Waals density functional theory.
J Chem Phys. 2012 Jan 14;136(2):024702. doi: 10.1063/1.3675494.
8
DFT study of the adsorption of D-(L-)cysteine on flat and chiral stepped gold surfaces.
Langmuir. 2013 Jul 16;29(28):8856-64. doi: 10.1021/la401057f. Epub 2013 Jul 1.

引用本文的文献

1

本文引用的文献

1
Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality.
Proc Natl Acad Sci U S A. 2017 Oct 31;114(44):E9188-E9196. doi: 10.1073/pnas.1713320114. Epub 2017 Oct 17.
4
100-fold reduction of electric-field noise in an ion trap cleaned with in situ argon-ion-beam bombardment.
Phys Rev Lett. 2012 Sep 7;109(10):103001. doi: 10.1103/PhysRevLett.109.103001. Epub 2012 Sep 4.
5
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.
J Phys Condens Matter. 2009 Sep 30;21(39):395502. doi: 10.1088/0953-8984/21/39/395502. Epub 2009 Sep 1.
6
Work functions at facet edges.
Phys Rev Lett. 2002 Apr 15;88(15):156802. doi: 10.1103/PhysRevLett.88.156802. Epub 2002 Apr 1.
7
Alkali metal adsorbates on W(110): Ionic, covalent, or metallic?
Phys Rev Lett. 1990 Jan 29;64(5):571-574. doi: 10.1103/PhysRevLett.64.571.
8
Ab initio molecular dynamics for liquid metals.
Phys Rev B Condens Matter. 1993 Jan 1;47(1):558-561. doi: 10.1103/physrevb.47.558.
9
Work function of metals upon alkali-metal adsorption: Overlayer relaxation.
Phys Rev B Condens Matter. 1987 Aug 15;36(6):3452-3454. doi: 10.1103/physrevb.36.3452.
10
Coverage dependence of the work function of metals upon alkali-metal adsorption.
Phys Rev B Condens Matter. 1986 Aug 15;34(4):2889-2892. doi: 10.1103/physrevb.34.2889.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验