SEMINAR

材料基因创新设计国际交流论坛

时间: 2017年12月18日（星期一）10：00

地点：长宁园区2号楼607会议室

欢迎广大科研人员和研究生参与讨论！

联系人：刘茜（2413），王家成（2714），周遥（2404）

Report 1

Flatland: the landscape of 2D materials

Zheng Liu

Center for Programmed Materials, School of Materials Science and Engineering, Nanyang Technological University, Singapore

Abstract:

The one-atom-think crystal like graphene has fantastic properties and attracted tremendous interests in these years, which open a window to the landscape of the two-dimensional (2D) materials. There are a large variety of 2D materials beyond graphene that are to be explored. Using chemical solid reaction and chemical vapour deposition, we have successfully synthesized a wide spectrum of 2D materials (both single crystals and few layers).

In this talk, I will briefly introduce development of 2D materials over the past ten years and our recent work in this area, including the advances in the synthesis of various 2D materials, engineering of 2D materials such as design of lateral and vertical 2D heterostructure and fabrication of 2D alloy. We will also discuss the unique physical properties such as 2D superconductivity (MoTe2 and NbSe2), 2D ferroelectricity (CuInP2S4), 2D ferromagnetism and 2D Wyle semi-metals, as well as the potential applications of 2D materials including the fabrication of novel electronics; detector and sensors; coating and composite, energy and catalysis.

References:

1. Chongyun Jiang, Fucai Liu, etc., Zeeman splitting via spin-valley-layer coupling in bilayer MoTe2, Nature Communications,2017.
2. Ilya Belopolski, Peng Yu, etc., Signatures of a time-reversal symmetric Weyl semimetal with only four Weyl points , Nature Communications, 2017.
3. Hong Wang, Xiangwei Huang, etc., High-quality monolayer superconductor NbSe2 grown by chemical vapour deposition , Nature Communications, 2017.
4. Dong Li, Mingyuan Chen, etc., Two-dimensional non-volatile programmablep–n junctions , Nature Nanotechnology, 2017
5. Ilya Belopolski, etc. Discovery of a new type of topological Weyl fermion semimetal state in MoxW1-xTe2, Nature Communications, 2016
6. Fucai Liu, etc. Room-temperature ferroelectricity in CuInP2S6 ultrathin flakes, Nature Communications, 7, 12357, 2016
7. Jiadong Zhou, Fucai Liu, etc. Large-area and high-quality 2D transition metal telluride, Advanced Materials, 29, 1603471, 2017 (Front Cover)

[8] Xuewen Wang, Xuexia He, etc. Sub-atom Deformation Driven by Vertical Piezoelectricity from CdS Ultra-thin Films, Science Advances, 2, e1600209, 2016

Biography：

Dr. Zheng Liu received his B.S. degrees (2005) at Nankai University (China), and completed his PhD at National Centre for Nanoscience and Technology (NCNST, China), working on the synthesis and energy harvest of carbon nanotubes. He then worked in Prof Pulickel M. Ajayan and Prof Jun Lou’s groups as a joint postdoc research fellow (2010~2012) and research scientist (2012~2013) at Rice University (USA).

His research focus on following topics: 1) Synthesis of high-quality and large-size novel 2D monolayers, especially, a full spectrum of transition metal dichalcogenides (TMDs), the biggest family ever known in 2D materials. 2) Engineering of 2D materials such as lateral/vertical 2D heterostructure and alloy; 3) Physical properties of 2D monolayers such as 2D superconductivity (MoTe₂ and NbSe₂), 2D ferroelectricity (CuInP₂S₄), 2D ferromagnetism and 2D Wyle semi-metals (W_xMo_1-xTe₂ and TaIrTe₄). 3) Applications of 2D materials such as novel electronics (Semi-floating gate FET, Inorganic/organic PN junction and rectifier, Ferroelectrically non-volatile memory); Detector and sensors (Atom-thin photodetector, photoconductive switch and Microelectromechanical sensor); Coating and composite (high-temperature oxidation-resistant coating, binder-free fire-resistant wood coatings), energy and catalysis (Li-ion battery, supercapacitor, ORR, HER, etc).

He has published more than 140 peer-reviewed papers in top journals including 16 papers in Nature and science serial journals (Nature Materials, Nature Nanotechnology, Nature Communications and Science Advances); 22 in Nano Letters; 18 in Advanced Maters; 9 in ACS Nano, with total citations more than 12000 and h-index of 48. These works have also been reported by many renowned media such as Science daily, Phy.org, EEE spectrum, etc., and also highlighted by the top journals such as Nature Physics, Nature Nanotechnology, Chem Int Ed, etc. He was also a recipient of the World Technology Award in Energy category in 2012. This award has been presented as a way to honour those in doing “the innovative work of the greatest likely long-term significance.” He was awarded the prestigious Singapore NRF Fellowship. He was also the awardee of the elite Nanyang Assistant Professorship in 2013

Report 2

Data-driven Accelerated Materials Discovery with High-throughput Computing and Statistical Learning

Wei Chen

Illinois Institute of Technology, Chicago, U. S. A.

Abstract:

Accelerating the discovery of advanced materials is essential for sustainable development and manufacturing innovation. In the talk, I will discuss how the integration of high-throughput computing and modern statistical learning can help uncover the missing piece for accelerated materials design. Overviews of high-throughput projects will be given to illustrate the power of autonomous computing workflows in mapping the tensor properties of inorganic materials. Specifically, I will talk about the development of a comprehensive database of elastic tensors and its contribution to the discovery of a new class of thermoelectric materials. In combination with a newly developed statistical learning framework, the elasticity database has been leveraged to design superhard materials and explore high-entropy alloys. The ability to quantify how microscale parameters affect the macroscale material properties marks an important step towards the ab initio prediction of material design rules. Moving beyond bulk phenomena of materials, the surface property is the new frontier for high-throughput materials research. I will introduce a recent effort in applying high-throughput surface calculations in the discovery of low-band-gap photoelectrocatalytic materials for direct fuel generation from sunlight. Twelve new water oxidation photoelectrocatalysts have been identified from computations and verified by experiments.

Biography：

Dr. Wei Chen obtained his PhD in Materials Science and Engineering from Northwestern University, where he worked with Prof. Chris Wolverton on first-principles investigations of catalytic surfaces. Prior to that, he received his B.S. from Shanghai Jiao Tong University and MSc from Shanghai Institute of Ceramics. He was a postdoctoral fellow at Lawrence Berkeley National Laboratory working with Prof. Kristin Persson between 2012 and 2015. At LBNL, he was the primary contributor to the Materials Project, spearheading the development of major computational databases in elastic, piezoelectric, dielectric and transport properties of materials. He joined Illinois Institute of Technology in 2015 as an Assistant Professor in the Department of Mechanical, Materials and Aerospace Engineering. His work focuses on the integration of theory, computation and statistical learning to accelerate materials discovery and design.