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The structure and dynamics of atomic oxygen adsorbed on Ag(410) and Ag(210) surfaces have been investigated using density functional theory. Our results show that the adsorption configuration in which O adatoms decorate the upper side of…

材料科学 · 物理学 2009-11-10 N. Bonini , A. Kokalj , A. Dal Corso , S. de Gironcoli , S. Baroni

Surface alloys are a highly tunable class of low dimensional materials with the opportunity to tune and control the spin and charge carrier functionalities on the nanoscale. Here, we focus on the atomic and mesoscopic structural details of…

X-ray reflectivity studies reveal atomic-level surface-segregation at the free surface of the eutectic Au71Sn29 liquid alloy. The surface-segregation extends up to three layers, in which the top layer is almost a pure monolayer of Sn, the…

Real time electron microscopy observation on morphological changes in gold nano structures deposited on Si (100) surfaces as a function of annealing temperatures has been reported. Two types of interfaces with the substrate silicon were…

介观与纳米尺度物理 · 物理学 2017-11-27 Ashutosh Rath , J. K. Dash , R. R. Juluri , A Rosenauer , P V Satyam

Al(110) has been studied for temperatures up to 900 K via ensemble density-functional molecular dynamics. The strong anharmonicity displayed by this surface results in a negative coefficient of thermal expansion, where the first interlayer…

材料科学 · 物理学 2009-10-31 Nicola Marzari , David Vanderbilt , Alessandro De Vita , M. C. Payne

Nanoscale surface analysis of 1 micrometer thick high entropy alloys (HEAs) was carried out using nano-IR for hyperspectral imaging and single point spectroscopy in the 700-1700 1/cm spectral range. Nano-IR is based on the detection of…

We report experiments on surface nanopatterning of Si targets which are irradiated with 2 keV Ar + ions impinging at near-glancing incidence, under concurrent co-deposition of Au impurities simultaneously extracted from a gold target by the…

介观与纳米尺度物理 · 物理学 2016-03-30 B. Moon , S. Yoo , J. -S. Kim , S. J. Kang , J. Muñoz-García , R. Cuerno

Au-Cu bimetallic nanoparticles (NPs) grown on TiO 2 (110) have been followed in-situ using grazing incidence x-ray diffraction and x-ray photoemission spectroscopy from their synthesis to their exposure to a CO/O 2 mixture at low pressure…

In this manuscript we report helium atom scattering (HAS) measurements of the structure of the first H2O layer on Au(111). The interaction between H2O and Au(111) is believed to be particularly weak and conflicting evidence from several…

Low energy electron diffraction (LEED), scanning tunneling microscopy (STM), and photoelectron spectroscopy have been used to study an ordered structure formed by Ge atoms deposited onto the Au(111) surface. Based on a careful analysis of…

材料科学 · 物理学 2018-01-03 W. Wang , R. I. G. Uhrberg

In the search for evidence of silicene, a two-dimensional honeycomb lattice of silicon, it is important to obtain a complete picture for the evolution of Si structures on Ag(111), which is believed to be the most suitable substrate for…

材料科学 · 物理学 2015-06-04 Baojie Feng , Zijing Ding , Sheng Meng , Yugui Yao , Xiaoyue He , Peng Cheng , Lan Chen , Kehui Wu

Multi-component alloys offer broad tunability for addressing challenges in materials science, but their vast configurational space makes their surface chemistry highly sensitive to operating conditions, for example through adsorption and…

材料科学 · 物理学 2026-03-03 Pernilla Ekborg-Tanner , Paul Erhart

A uniform array of single-grain Au nanodots, as small as 5-8 nm, can be formed on silicon using e-beam lithography. The as-fabricated nanodots are amorphous, and thermal annealing converts them to pure Au single crystals covered with a thin…

介观与纳米尺度物理 · 物理学 2011-09-16 N. Clement , G. Patriarche , K. Smaali , F. Vaurette , K. Nishiguchi , D. Troadec , A. Fujiwara , D. Vuillaume

Here we demonstrate the controlled growth of Bi(110) and Bi(111) films on an (insulating) $\alpha$-Al$_2$O$_3$(0001) substrate by surface X-ray diffraction and X-ray reflectivity using synchrotron radiation. At temperatures as low as 40 K,…

The adsorption of C60 on Si(111) has been studied by means of first-principles density functional calculations. A 2x2 adatom surface reconstruction was used to simulate the terraces of the 7x7 reconstruction. The structure of several…

Surface alloying is a straightforward route to control and modify the structure and electronic properties of surfaces. Here, We present a systematical study on the structural and electronic properties of three novel rare earth-based…

材料科学 · 物理学 2020-05-07 Yande Que , Yuan Zhuang , Ziyuan Liu , Chaoqiang Xu , Bin Liu , Kedong Wang , Shixuan Du , Xudong Xiao

Silicon nanocrystals are produced using a two-stage gold ion implantation technique. First stage implantation using low energy ions leads to the formation of an amorphous Si (a-Si) layer. A subsequent high energy Au irradiation in the…

介观与纳米尺度物理 · 物理学 2014-03-26 Gayatri Sahu , Rajesh Kumar , D. P. Mahapatra

Freestanding silicene, a monolayer of Si arranged in a honeycomb structure, has been predicted to give rise to massless Dirac fermions, akin to graphene. However, Si structures grown on a supporting substrate can show properties that…

介观与纳米尺度物理 · 物理学 2015-05-25 Jiagui Feng , Sean Wagner , Pengpeng Zhang

We investigated the bond, electronic and magnetic behavior of adsorption Yttrium atoms on Lithium (110) surface using a combination of Bond-order-length-strength(BOLS) correlation and density-functional theory(DFT). We found that adsorption…

材料科学 · 物理学 2018-12-26 Maolin Bo , Li Lei , Chuang Yao , Zhongkai Huang , Cheng Peng , Chang Q. Sun

Possibility for the formation of stable Al atomic wire on the Si(211) surface is investigated using density functional theory based total energy calculations. The stable adsorption sites and the surface structures at various sub-monolayer…

材料科学 · 物理学 2007-05-23 Bikash C Gupta , Inder P Batra