纳米光催化模拟

超导性能的应力调控模拟

高通量筛选与机器学习

可控形貌纳米材料制备与表征

国家自然科学基金青年项目 外延应力调控CeO₂薄膜光催化性能的机理研究 主持

广东省基础与应用基础研究粤莞联合基金（地区培育项目） 氧化扩散行为对耐事故Cr涂层界面性能的影响研究 主持

中央高校基本科研业务费 Ni基高熵合金抗辐照损伤的DFT和MD研究 主持

Materials Strength and Deformation

1. Z. Liu, B. Wang, "Prediction on the theoretical strength of diamond, c-BN, Cu, and CeO2", AIP Advances, 2021, 11, 095111.

2. Z. Liu, B. Wang, C. Cazorla, "Mechanical and electronic properties of CeO2 under uniaxial tensile loading: A DFT study", Materialia, 2021, 15, 101050

3. Z. Liu, B. Wang, "Prediction of ideal strength by machine learning", Materials Chemistry and Physics, 2023, 299, 127476

Superconductivity

1. Z. Liu, B. Wang, "Biaxial strain engineering on the superconducting properties of MgB2 monolayer", Materials Chemistry and Physics, 2022, 290, 126637

2. Z. Liu, B. Wang, "Comparative study on the strain-dependent mechanical and electronic properties of Nb3Al and Nb3Sn", Materials Research Express, 2021, 8, 086001

3. Z. Liu, Y. Chen, L. Du, P. Li, Y. Cui, X. Pan, and G. Yan, "Preparation of Nb₃Al superconductor by powder metallurgy and effect of mechanical alloying on the phase formation", Journal of Modern Transportation, 2014, 22, 55

4. Y. Chen (导师), Z. Liu, P. Li, X. Zhang, S. Yang, D. Yang, and Y. Zhao, "Preparation of Nb₃Al by high-energy ball milling and superconductivity", Journal of Physics: Conference Series, 2014, 507, 012006

5. L. Du, P. Li, Z. Liu, Y. Cui, Y. Chen, Y. Zhao, and G. Yan, "The reaction process of NbAl interface in rod-in-tube strands", Journal of Superconductivity and Novel Magnetism, 2014, 2029

Photocatalysis/Catalysis

1. Z. Liu, J.N. Hart, C.C. Sorrell, and C. Cazorla, "Strain engineering of oxide thin films for photocatalytic applications", Nano Energy, 2020, 72, 104732

2. Z. Liu, B. Wang, D. Chu, and C. Cazorla, "First-principles high-throughput screening of bulk piezo-photocatalytic materials for sunlight-driven hydrogen production", Journal of Materials Chemistry A, 2022, 10, 18132

3. Z. Liu, B. Wang, C. Cazorla, "Strain Engineering of Two-Dimensional Piezophotocatalytic Materials for Improved Hydrogen Evolution Reaction", ACS Sustainable Chemistry & Engineering, 2022, 10, 16924

4. Z. Liu, Hongyang Ma, C.C. Sorrell, P. Koshy, B. Wang and J.N. Hart, "Enhancement of light absorption and oxygen vacancy formation in CeO2 by transition metal doping: A DFT study", Applied Catalysis A: General, 2024, 670, 119544

5. Z. Liu, C.C. Sorrell, P. Koshy, and J.N. Hart, "DFT study of methanol adsorption on defect-free CeO₂ low-index surfaces", ChemPhysChem, 2019, 20, 2074

6. Z. Liu, X. Li, M. Mayyas, P. Koshy, J.N. Hart, and C.C. Sorrell, "Planar-dependent oxygen vacancy concentrations in photocatalytic CeO₂ nanoparticles", CrystEngComm, 2018, 20, 204

7. Z. Liu, X. Li, M. Mayyas, P. Koshy, J.N. Hart, and C.C. Sorrell, "Growth mechanism of ceria nanorods by precipitation at room temperature and morphology-dependent photocatalytic performance", CrystEngComm, 2017, 19, 4766

ATF materials

1. X. Li, Y. Ma, W. Zhou, Z. Liu, "Hydrogen Atom and Molecule Adsorptions on FeCrAl (100) Surface: A First-Principle Study", Frontiers in Energy Research, 2021, 9, 713493

2. X Li, Y Ma, W Zhou, Z Liu, "Spin-polarized DFT calculations of elemental effects on hydrogen atom adsorption on FeCrAl (110) surface", Applied Surface Science, 2022, 581, 152273

3. X Li, S. Lin, W. Zhou, N. Jiang, Y Ma, Z Liu, "The elemental weakening & aggregation effect on the hydrogen adsorption on FeCrAl (110) surface", Surfaces and Interfaces, 2023, 41, 103073

4. X Li, S. Lin, W. Zhou, N. Jiang, Y Ma, Z Liu, "The elemental effects on the H2 dissociative adsorption on FeCrAl (110) surface", International Journal of Hydrogen Energy, 2024, 51, 894

Other

1. S. Mofarah, E. Adabifiroozjaei, Y. Yao, P. Koshy, S. Lim, R. Webster, X. Liu, R. Nekouei, C. Cazorla, Z. Liu, Y. Wang, N. Lambropoulos and C.C. Sorrell, “Proton-assisted creation of controllable volumetric oxygen vacancies in ultrathin CeO_2−x for pseudocapacitive energy storage applications”, Nature Communications, 2019, 10, 2594

2. M. Mayyas, F. Pahlevani, M. Bucknall, S. Maroufi, Y. You, Z. Liu, and V. Sahajwalla, "Thermocatalytic conversion of automotive shredder waste and formation of nanocarbons as a process byproduct", ACS Sustainable Chemistry & Engineering, 2017, 5, 5440

3. M. Mayyas, F. Pahlevani, S. Maroufi, Z. Liu, and V. Sahajwalla, “Waste conversion into high-value ceramics: Carbothermal nitridation synthesis of titanium nitride nanoparticles using automotive shredder waste”, Journal of Environmental Management, 2017, 188, 32

4.M. Mayyas, M. Mayyas, F. Pahlevani, Z. Liu, R. Rajarao, and V. Sahajwalla, "From automotive shredder residue to nano-ceramics and graphitic carbon – thermal degradation kinetics", Journal of Analytical and Applied Pyrolysis, 2016, 120, 60

5. Q. Jiang, R. Yang, Z. He, Z. Liu, D. Xie, and Y. Zhao, " Preparation and characterization of a graphite electrode containing carbon nanotubes grown in situ by flame synthesis", Electrochimica Acta, 2011, 56, 5205

6. H Ma, Z Liu, P Koshy, CC Sorrell, JN Hart, "Density Functional Theory Investigation of the Biocatalytic Mechanisms of pH-Driven Biomimetic Behavior in CeO₂", ACS Applied Materials & Interfaces, 2022, 14, 1193

材料科学基础；环境材料学; 大学英语

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博士后招聘：长期招收材料计算背景的博士后。