Online Info Session | 明天见！表面化学课题组研究介绍

现代科学立足于道尔顿的原子学说，迄今已逾200年历史。所谓“眼见为实”，扫描探针显微学开拓了人类在原子尺度对微观结构与过程的观测能力。在本期讲座，我校黄恺助理教授将向大家讲解如何利用扫描探针显微镜，在原子尺度对固体表面化学领域进行研究。

题目

基于扫描隧道显微学与密度泛函理论计算

的固体表面化学的动力学研究

嘉宾

黄恺

（广东以色列理工学院化学系助理教授）

时间

2020年7月24日（周五）20:00-21:00

地点

广以理工招生办Bilibili直播间

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摘要

表面化学的研究核心是通过研究固体表面结构与其吸附原子、分子行为的关联，从而实现对固体材料表面化学反应的有效调控。在此框架内，报告人通过使用超高真空下的扫描隧道显微学（实验）以及基于第一性原理的计算模拟（理论）相结合的两种手段，对以下三方面进行了研究：（1）对单晶硅表面原子层面上的有序图案调控：（2）非金属表面的金属颗粒/薄膜的生长形貌调控（3）金属表面的电子诱导反应的机理。该系列研究展示了如何通过改变吸附分子结构、固体衬底的温度、掺杂等方法来影响相关的表面动力学过程，并进一步调控表面化学反应。

嘉宾简介

黄恺，广东以色列理工学院助理教授，2006年获北京大学理学学士（导师：吴凯）, 2011年获加拿大多伦多大学理学博士（导师：诺贝尔奖得主John Polanyi）。其后，他先后在加拿大多伦多大学、德国马普协会Fritz Haber研究所从事研究工作。在回国前，他任职加拿大多伦多大学材料科学与工程系副研究员职位。其研究成果在Nat. Commun., J. Am. Chem. Soc., ACS Nano, Angew. Chem. In. Ed. 等杂志上共发表学术论文15篇（其中8篇为第一作者/共同第一作者，1篇为共同通讯作者），参加国际国内学术会议14次。回国以来，他成功申请并获资国家自然科学基金（青年）、广东省特色项目（创新、青年）、广东省科技专项资金培育项目、李嘉诚基金会交叉研究等项目的支持。

课题组简介

表面化学课题组立足于广东以色列理工学院，通过超高真空下的扫描隧道显微学（实验）和第一性原理计算（理论）相结合的手段，对固体表面的物理与化学性质进行研究。值得一提的是，该课题组强调通过调控表面动力学来制备、表征、理解新型的表面材料，以实现对能源、催化、健康方面的如下应用：

• 氧化物表面的化学性质

• 第四族半导体表面功能化纳米结构的形成机理

• CO₂在固体材料表面的捕获与转化

课题组机会

• 诚招本校（广东以色列理工学院）本科生（大二及以上年级）从事本科生科研工作；

• 诚招化学、材料、化工等相关专业优秀毕业生攻读硕士、博士学位（授予以色列理工学位）。

Title

Surface Dynamics by Scanning Tunneling Microscopy and Density Functional Theory

Presenter

Kai Huang

(Assistant Professor of Chemistry, GTIIT)

Time

July 24, 20:00-21:00

Venue

Broadcasting Room of GTIIT Admissions Office on Bilibili.com

Abstract

The field of surface chemistry is about the detailed understanding and the control of the behaviors of atoms and molecules at surfaces. The past half century has witnessed the success of surface chemistry in studying single-crystal based “model systems”, and its wide range of high-impact applications in heterogeneous catalysis, semiconductor-based electronics, biomedical devices, photovoltaics, and petrochemical industry. Amongst a large collection of tools to study surface chemistry, “scanning probe microscopies and spectroscopies and density functional theory (DFT)” were highlighted in the 2007 report from the US Department of Energy Basic Energy Sciences Workshop as “have provided us with previously undreamt-of abilities to image surfaces and surface reactions, and to integrate theory with experiment in unraveling reaction mechanisms.”

In this talk, I shall present three examples concerning dynamics at the surfaces of copper, silicon and calcium oxide by STM and DFT. In the first example, I shall present, on a copper surface, selected (mode and bond) reaction dynamics caused by electrons. The second example is concerning patterning a silicon surface by firstly molecular self-assembly, followed by thermal reaction. Two physisorbed states, termed as horizontal (h) and vertical (v), were identified of differing adsorption site, alignment, intermolecular interaction and thermal reactivity. In the last example, I shall describe how the gas-phase oxygen affects the growth morphology of gold particles on a doped CaO film, forming a two-dimensional gold island at zero partial pressure of oxygen versus a three-dimensional gold deposit in 10^-6 mbar oxygen. In addition, I shall briefly describe the on-going research topics in our laboratory

Bibliography

Kai Huang was educated in Beijing (China), Toronto (Canada) and Berlin (Germany). He obtained his BSc from Peking University (北京大学) in 2006, and his PhD with Prof. John Polanyi (Nobel Laureate) from the University of Toronto in 2011. In the following years, he conducted research work at the University of Toronto and at the Fritz-Haber-Institut der Max-Planck- Gesellschaft, prior to joining GTIIT as an assistant professor of chemistry in the fall of 2018. His past research profile is most represented by the following aspects: (a) patterned molecular reaction at silicon surfaces; (b) morphology control of metal-deposits at non-metals; (c) electron-induced molecular dynamics on metals. His research findings were published in Nat. Commun., J. Am. Chem. Soc., ACS Nano, Angew. Chem. In. Ed, J. Phys. Chem. Lett.

Research Interest

At GTIIT, the Huang laboratory studies physics and chemistry at solid surfaces, by ultrahigh vacuum scanning probe microscopy and spectroscopy (experiment), and by first principles computations (theory). Of particular note, our expertise centers at the control of surface dynamics to fabricate, characterize and understand novel surface materials for energy, catalysis and health applications, as sketched below:

• Chemical characteristics at oxide surfaces

• Formation Dynamics of Functionalized nanostructures on Group IV semiconductors

• CO₂ capture and transformation at solid material surfaces

Opportunity

• Research assistant positions for current undergraduate GTIIT students (year 2 +);

• Master and PhD positions for graduates of related fields.

文/图：黄恺

Text/Photos: Kai Huang