1. C. Zhang, Y. Lan, X. Guo, Q. Yang* and C. Zhong. Materials Genomics-Guided Ab Initio Screening of MOFs with Open Copper Sites for Acetylene Storage. AIChE J., 2018, 64, 1389-1398.
2. X. Guo, D. Liu, T. Han, H. Huang, Q. Yang*, C. Zhong. Preparation of thin film nanocomposite membranes with surface modified MOF for high flux organic solvent nanofiltration. AIChE J., 2017, 63, 1303-1312.
3. M. Tong*, Y. Lan, Q. Yang* and C. Zhong. Exploring the structure-property relationships of covalent organic frameworks for noble gas separations. Chem. Eng. Sci. 2017, 168, 456-464.
4. Y. Lan, M. Tong*, Q. Yang* and C. Zhong. Computational screening of covalent organic frameworks for the capture of radioactive iodine and methyl iodide. CrystEngComm, 2017, 19, 4920-4926.
5. Y. Wang, Q. Yang*, C. Zhong and J. Li*. Theoretical investigation of gas separation in functionalized nanoporous graphene membranes. Appl. Surf. Sci., 2017, 407, 532-539.
6. S. Li, K. Wang, Y. Shi, Y. Cui, B. Chen, B. He, W. Dai, H. Zhang, X. Wang, C. Zhong, H. Wu, Q. Yang* and Q. Zhang*. Novel biological functions of ZIF-NP as a delivery vehicle: high pulmonary accumulation, favorable biocompatibility, and improved therapeutic outcome. Adv. Funct. Mater. 2016, 26, 2715-2727.
7. M. Tong, Q. Yang*, Q. Ma, D. Liu and C. Zhong*, Few-Layered Ultrathin Covalent Organic Framework Membranes for Gas Separation: A Computational Study. J. Mater. Chem. A, 2016, 4, 124 –131.
8. Y. Wang, J. Li*, Q. Yang* and C. Zhong, Two-dimensional covalent triazine framework membrane for helium separation and hydrogen purification, ACS Appl. Mater. Interfaces, 2016, 8, 8694-8701.
9. W. Xue, Z. Li, H. Huang, Q. Yang,* D. Liu, Qing Xu*, Effects of Ionic Liquid Dispersion in Metal-Organic Frameworks and Covalent Organic Frameworks on CO2 Capture: A Computational Study. Chem. Eng. Sci., 2016, 140, 1-9.
10. Y. Wang, Q. Yang*, C. Zhong and J. Li*. Graphene-Like Poly(triazine Imide) as N2-Selective Ultrathin Membrane for Post-Combustion CO2 Capture. J. Phys. Chem. C, 2016, 120, 28782-28788.
11. Y. Wang, Q. Yang, J. Li*, J. Yang* and C. Zhong, Exploration of nanoporous graphene membranes for the separation of N2 from CO2: a multi-scale computational study, Phys. Chem. Chem. Phys., 2016, 18, 8352-8358. 12. Y. Ban, Z. Li, Y. Li,* Y. Peng, H. Jin, W. Jiao, A. Guo, P. Wang, Q.Yang,* C. Zhong, and W. Yang*. Confinement of Ionic Liquids in Nanocages: Tailoring Molecular Sieving Property of ZIF-8 for Membrane-Based CO2 Capture. Angew. Chem. Int. Ed., 2015, 127, 15703–15707.
13. X. Guo, H. Huang, Y. Ban, Q. Yang,* Y. Xiao, Y. Li,* W. Yang and C. Zhong. Mixed matrix membranes incorporated with amine-functionalized titanium-based metal-organic framework for CO2/CH4 separation. J. Membr. Sci., 2015, 478, 130?139.
14. Y. Xiao, T. Han, G. Xiao, Y. Ying, H. Huang, Q. Yang,* D. Liu and C. Zhong.* Highly selective adsorption and separation of aniline/phenol from aqueous solutions by microporous MIL-53(Al): A combined experimental and computational study. Langmuir, 2014, 30, 12229-12235.
15. M. Tong, Q. Yang,* Y. Xiao and C. Zhong.* Revealing the structure–property relationship of covalent organic frameworks for CO2 capture from postcombustion gas: a multi-scale computational study, Phys. Chem. Chem. Phys., 2014, 16, 15189-15198.
16. Q. Ma, Q. Yang,* A. Ghoufi, K. Yang, M. Lei, G. Férey, C. Zhong and G. Maurin.* Guest-modulation of the mechanical properties of flexible porous Metal Organic Frameworks, J. Mater. Chem. A, 2014, 2, 9691-9698.
17. Q. Yang, D. Liu, C. Zhong* and J. Li. Development of computational methodologies for metal-organic frameworks and their application in gas separations, Chem. Rev. 2013, 113, 8261–8323.
18. Q. Yang, S. Vaesen, F. Ragon, A. D. Wiersum, D. Wu, A. Lago, T. Devic, C. Martineau, F. Taulelle, P. L. Llewellyn, C. Serre*, H. Jobic, C. Zhong, G. De Weireld* and G. Maurin*. A water stable metal–organic framework with optimal features for CO2 capture, Angew. Chem. Int. Ed., 2013, 52, 10316–10320.
19. Y. Xiao, Q. Yang*, D. Liu* and C. Zhong. Computational design of metal-organic frameworks for aniline recovery from aqueous solution, CrystEngComm, 2013, 15, 9588–9595.
20. Y. Chen, L. Liu*, Q. Yang*, S. Wen, L. Zhang and C. Zhong. Computational Study of Nanoparticle Dispersion and Spatial Distribution in Polymer Matrix under Oscillatory Shear Flow, Langmuir, 2013, 29, 13932-13942.