搜索结果: 1-15 共查到“知识库 理学 In-111”相关记录62条 . 查询时间(0.078 秒)
Ag(111)和Au(111)上铋的初始生长行为
半金属Bi Ag(111) Au(111) 扫描隧道显微镜
2022/3/24
半金属铋(Bi)的表面合金具有的Rashba效应, 和其具体结构性质有重要关联. 本文结合扫描隧道显微镜(STM)和密度泛函理论(DFT), 系统地研究了Bi原子在Ag(111)和Au(111)上的不同初始生长行为. 在室温Ag(111)上, 连续的Ag2Bi合金薄膜会优先在Ag台阶边缘形成; 在570 K Ag(111)上, 随着覆盖度增加到0.33 分子层(ML), Bi优先取代配位数低的台阶...
α,β-不饱和醛在Ni-Pt(111)面上吸附的理论研究
密度泛函理论 巴豆醛 肉桂醛 Ni-Pt(111)面 吸附
2019/1/12
利用密度泛函理论研究了巴豆醛和肉桂醛分子在Pt-Ni-Pt（111）面的吸附构型以及相关电子性质.吸附构型与吸附能结果表明，巴豆醛和肉桂醛在覆盖度为1/25 ML的条件下，以C=C和C=O双键协同吸附在Pt-Ni-Pt（111）面较为稳定，且肉桂醛与Pt-Ni-Pt（111）面的吸附能远大于巴豆醛.由Mulliken电荷布局和差分电荷密度可知，在吸附过程中肉桂醛分子向Pt-Ni-Pt（111）面上...
Ru修饰前后Pd(111)面的性质及对糠醛吸附的比较研究
密度泛函理论 糠醛 Pd(111)面 Ru-Pd(111)面 吸附
2019/1/23
采用密度泛函理论研究了Pd（111）面和Ru-Pd（111）面的性质及对糠醛的吸附.原子尺寸因素、相对键长、形成能及d带中心等计算结果表明，Ru-Pd（111）面比Pd（111）面稳定且活性强，Ru的修饰优化了Pd（111）面的几何构型.糠醛在Pd（111）面及Ru-Pd（111）面的初始吸附位分别为P（top-bridge）位及P（Pd-fcc-Ru-fcc）位时，吸附能最大，吸附构型最稳定.由...
镍负载量对Ni/MgO(111)催化甲烷二氧化碳重整反应性能影响
MgO(111) 镍基催化剂 失活
2015/5/12
研究了MgO(111)负载镍基催化剂催化甲烷二氧化碳重整反应性能,针对镍负载量对反应活性和稳定性的影响进行了探讨。结果表明,随着镍负载量从2%增加到10%,催化剂的活性和稳定性均有所提高,但是当镍负载量进一步增加到20%时,催化剂的活性和稳定性略有下降。利用透射电子显微镜、X射线衍射和H2吸附脱附等手段对催化剂结构进行了表征,利用热重分析、拉曼光谱和透射电镜等手段对反应后回收的催化剂进行了表征。研...
研究单个Au-CdSe纳米异质结在经过表面修饰的Au(111)上的分散并进行STM表征. 发现衬底表面的自组装分子层的顶端功能基团对于形成良好的异质结分散状态非常重要. STM表明，巯基和羧酸基都能与异质结的Au纳米颗粒部分形成强烈的相互作用，从而将异质结有效地抓住，避免了团聚现象，便于异质结形成孤立分散的样品结构. 还可以采用条件适中的氩离子溅射技术来清除样品表面残留的有机物，从而得到较清晰的单...
Comparative Investigation of Mo(CO)6 Adsorption on Clean and Oxidized Si(111) Surfaces
Molybdenum hexacarbonyl SiO2/Si(111) Interaction High-resolution elec-tron energy loss spectroscopy
2012/4/5
Mo(CO)6 adsorption on the clean, oxygen-precovered and deeply oxidized Si(111) surfaces was comparatively investigated by high-resolution electron energy loss spectroscopy. The downward vibrational fr...
A New Collisional Ring Galaxy at z = 0.111: Auriga's Wheel
Collisional Ring Galaxy Auriga Wheel
2011/10/12
We report the serendipitous discovery of a collision ring galaxy, identified as 2MASX J06470249+4554022, which we have dubbed 'Auriga's Wheel', found in a SUPRIME-CAM frame as part of a larger Milky W...
Simulation of spin-polarized scanning tunneling microscopy on complex magnetic surfaces: The case of a Cr monolayer on Ag(111)
spin-polarized scanning tunneling complex magnetic surfaces Cr monolayer Ag
2011/8/17
Abstract: We propose an atom-superposition-based method for simulating spin-polarized scanning tunneling microscopy (SP-STM) from first principles. Our approach provides bias dependent STM images in h...
Bond-specific reaction kinetics during the oxidation of (111) Si: Effect of n-type doping
Bond-specific reaction kinetics oxidation of (111) Si Effect of n-type doping
2010/11/24
It is known that a higher concentration of free carriers leads to a higher oxide growth rate in the thermal oxidation of silicon. However, the role of electrons and holes in oxidation chemistry is not...
Topographic and electronic contrast of the graphene moiré on Ir(111) probed by scanning tunneling microscopy and non-contact atomic force microscopy
Topographi electronic contrast tunneling microscopy non-contact atomic force microscopy
2010/11/23
Epitaxial graphene grown on single crystal transition metal surfaces typically exhibits a moiré
pattern due to the lattice mismatch between graphene and the underlying metal surface. We use si-multan...
Tuning the spin texture in binary and ternary surface alloys on Ag(111)
Tuning the spin texture ternary surface alloys
2010/11/19
Recently, a giant spin splitting has been observed in surface alloys on noble metal (111) surfaces as a result of a strong structural modification at the surface as well as the large atomic spin-orbit...
Large enhancement in hole velocity and mobility in p-type [110] and [111] silicon nanowires by cross section scaling: An atomistic analysis
silicon nanowire mobility p-type holes atomistic bandstructure
2010/11/22
The mobility of p-type nanowires (NWs) of diameters of D=12nm down to D=3nm, in [100], [110], and [111] transport orientations is calculated. An atomistic tightbinding model is used to calculate the N...
A Change of Rotation Profile in the Envelope in the HH 111 Protostellar System: A Transition to a Disk?
Galaxy Astrophysics (astro-ph.GA)
2010/12/27
The HH 111 protostellar system consists of two Class I sources (VLA 1 and 2) with putative disks deeply embedded in a flattened envelope at a distance of 400 pc.
采用广义梯度近似 (GGA) 的密度泛函理论 (DFT) 并结合平板模型, 研究了 CH4 在清洁 Pd(111) 及 O 改性的 Pd(111) 表面发生 C朒 键断裂的反应历程. 优化了裂解过程中反应物、过渡态和产物的几何构型, 获得了反应路径上各物种的吸附能及反应的活化能. 结果表明, CH4 采用一个 H 原子指向表面的构型在 Pd(111) 表面的顶位吸附, CH3 的最稳定的吸附位...