Overview

Current Work

The central focus of our research is on the computer-aided materials design for next-generation energy and environmental applications.

The insightful understanding of the structure-property-performance relationship of materials holds the key to designing novel materials. The research strategy we generally utilise is to identify the correlation between materials structure and their properties at the atomic level by incorporating the fundamental knowledge and data into first-principles electronic structure calculations. Thanks to the recent progress in theory and supercomputer areas, we can develop approximate solutions to the exact geometric/electronic/magnetic/optical structure problem to be obtained with reasonable accuracy, compared to experimental data. We can further study a variety of important elementary reactions at solid-solid, solid-liquid or solid-gas interfaces with the consideration of the mass transport, charge transfer, phonon transport and reaction conditions by virtue of sophisticated computational algorithms. Consequently, the reactivity, selectivity and stability of materials can be systematically and comprehensively evaluated through the calculation of the corresponding thermodynamics and kinetics that are not accessible to experiments. We can then design materials by tailoring their properties to improve their practical performance for specific applications in strong synergetic interactions with experiments. More importantly, our outcomes can provide theoretic foundations to guide new experimental efforts towards unexplored territory.

We currently have specific interests in computer-aided materials design for the development of novel low temperature and environmentally benign applications, including: clean hydrogen fuel generation via water splitting, fuel cells, selective reduction/oxidation of hydrocarbons, CO2 reduction, environmental remediation, sensors, and solar cells.
 

News

Expertise Keywords

  • Catalysis
  • Computational Materials Science
  • Computational chemistry
  • Nanomaterials
  • Solar Energy

Subject Area Codes

  • Catalysis and Mechanisms of Reactions
  • Composite and Hybrid Materials
  • Energy Generation, Conversion and Storage Engineering
  • Environmental Chemistry (incl. Atmospheric Chemistry)
  • Materials Engineering

Country Affiliations

  • Australia
  • China
  • United States

Research Publications and Outputs

Recent Publications

Publications: 101 (Other: 101)

Funded Griffith Research

Engagement and Impact

Learning and Teaching

Teaching Philosophy

According to the USA’s 21st Century readiness act, students need to master 4C skills (Critical thinking& problem solving, Communication, Collaboration and Creativity & innovation) after graduation. To achieve this goal, the research has been purposely introduced to learning and teaching activities at universities. My teaching philosophy is greatly affected by the latest development of the teaching-research nexus. I firmly believe that teaching and research are complementary activities and actively endeavour to promote a positive and intellectually stimulating academic environment for students in universities.  

Current and Past Courses

  • Environ Chemistry, Monitoring (2203ENV)
    Convenor, In Person, Gold Coast Campus, Trimester 1, 2018.
  • Aquatic Chem and Pollution (3201ENV)
    Convenor, In Person, Gold Coast Campus, Semester 1, 2018.
  • Chemistry I (1023SCG)
    Convenor, In Person, Gold Coast Campus, Summer semester (Nov/Dec), 2017.
  • Adv Analytical Chemistry (3202ENV)
    Convenor, In Person, Gold Coast Campus, Semester 2, 2017.
  • Adv Analytical Chemistry (3202ENV)
    Teacher, In Person, Gold Coast Campus, Semester 2, 2017.
  • Pollution Chemistry (3508ENV)
    Convenor, In Person, Gold Coast Campus, Semester 2, 2015.
  • Adv Analytical Chemistry (3202ENV)
    Convenor, In Person, Gold Coast Campus, Semester 2, 2016.
  • Environ Chemistry. Monitoring (2203ENV)
    Teacher, In Person, Gold Coast Campus, Semester 1, 2016.
  • Pollution Chemistry (3508ENV)
    Teacher, In Person, Gold Coast Campus, Semester 2, 2015.
  • Inorganic Chemistry (2208ENV)
    Teacher, In Person, Gold Coast Campus, Semester 2, 2015.
  • Physical .Analytical Chemistry (2202ENV)
    Teacher, In Person, Gold Coast Campus, Semester 2, 2015.
  • Environ Chemistry. Monitoring (2203ENV)
    Convenor, In Person, Gold Coast Campus, Semester 1, 2018.
  • Environ Chemistry. Monitoring (2203ENV)
    Teacher, In Person, Gold Coast Campus, Semester 1, 2018.
  • Adv Analytical Chemistry (3202ENV)
    Convenor, In Person, Gold Coast Campus, Semester 2, 2018.
  • Adv Analytical Chemistry (3202ENV)
    Teacher, In Person, Gold Coast Campus, Semester 2, 2018.
  • Aquatic Chem and Pollution (3201ENV)
    Convenor, In Person, Gold Coast Campus, Semester 1, 2018.
  • Aquatic Chem and Pollution (3201ENV)
    Teacher, In Person, Gold Coast Campus, Semester 1, 2018.

Research by Higher Degree Supervision or Scholarship

Background

Bio

Dr Yun Wang is a Senior Lecturer at Griffith University. His previous postdoctoral training was completed at the University of Texas at Austin in the USA, and the University of Sydney. He received his PhD degree from Fudan University. He also briefly worked at Shanghai Jiao Tong University, China. Dr Wang has published more than 100 refereed articles in high-impact journals including Nature and Nature Energy. Dr Wang’s research aims at the rational design of novel functional materials involving two green chemistry areas: heterogeneous catalysis and renewable energy. The outcomes will advance fundamental understanding of the operational principles for green chemistry technologies. The developed solid knowledge and insights will lead to improved device design to enable higher performance of functional materials.  

Education and Training

  • BS Bachelor of Science, Fudan University, China 1992 - 1997
  • PhD Doctor Of Philosophy, Fudan University, China 1997 - 2002

Academic experience

  • Senior Lecturer, Griffith University 2018 -
  • Lecturer, Griffith University 2015 - 2017
  • Research Fellow, Griffith University 2010 - 2015
  • Postdoctoral Fellow, The University of Sydney 2006 - 2010
  • Associate Professor, Shanghai Jiao Tong University 2005 - 2006
  • Postdoctoral Fellow, University of Texas at Austin, TX, USA 2002 - 2004

Internal service roles

  • Personal Tutors of first year undergranduate, Griffith University 2017 -
  • Chairperson of PhD thesis examiners, Griffith University 2017 -

External service roles

  • Assessor, Australian research council 2015 -
  • Editorial Advisory Board Member of Scientific Reports, Nature publishing group 2017 -
  • Examiner of PhD thesis, Queensland University of Technology 2017 -
  • PhD thesis examiner, Swinburne University of Technology 2017 -
  • Thesis examiner, Western Sydney University 2017 - 2018
  • PhD confirmation panel member, University of Queensland 2016 -

Editorial roles

  • Editorial Advisory Board Member of Scientific Reports, Nature publishing group 2017 -

External advisory roles

  • Assessor,  CONICYT: National Commission for Science and Technological Research, Chile: Scientific Cooperation Projects between France and Chile 2015 - 2015

Professional memberships

  • ANN member, Australian Nanotechnology Network (ANN) 2014 -
  • CAS Member, Catalysis Society of Australia (CSA) 2016 -
  • MRACI CCHEM Member, Royal Australian Chemical Institute (RACI) 2013 -