79) Yu, H.; Fisher, A.; Cheng, DJ.*; Cao, D. *, Cu,N-codoped Hierarchical Porous Carbons as Electrocatalysts for Oxygen Reduction Reaction. ACS Appl Mater Interfaces 2016, 8 (33), 21431-9.
https://pubs.acs.org/doi/10.1021/acsami.6b04189
78) Dai, C.; Yang, Y.; Fisher, A.; Liu, Z. *; Cheng, DJ.*, Interaction of CO2 with metal cluster-functionalized ionic liquids. Journal of CO2 Utilization 2016, 16, 257-263.
https://linkinghub.elsevier.com/retrieve/pii/S2212982016302281
77) Yang, Y.; Dai, C.; Shen, Y. *; Fisher, A.; Cheng, DJ.*, Design of binary and ternary platinum shelled electrocatalysts with inexpensive metals for the oxygen reduction reaction. International Journal of Hydrogen Energy 2016, 41 (30), 13014-13023.
https://linkinghub.elsevier.com/retrieve/pii/S0360319916302841
76) Wu, D.; Xu, H.; Cao, D.; Fisher, A.; Gao, Y. *; Cheng, DJ.*, PdCu alloy nanoparticle-decorated copper nanotubes as enhanced electrocatalysts: DFT prediction validated by experiment. Nanotechnology 2016, 27 (49), 495403.
https://iopscience.iop.org/article/10.1088/0957-4484/27/49/495403
75) Yang, C.; Chen, J. F. *; Zeng, X. *; Cheng, DJ.*; Huan, H.; Cao, D., Enhanced near-infrared shielding ability of (Li,K)-codoped WO3 for smart windows: DFT prediction validated by experiment. Nanotechnology 2016, 27 (7), 075203.
https://iopscience.iop.org/article/10.1088/0957-4484/27/7/075203
74) Zhao, Z.; Fisher, A.; Cheng, DJ.*, Phase diagram and segregation of Ag-Co nanoalloys: insights from theory and simulation. Nanotechnology 2016, 27 (11), 115702.
https://iopscience.iop.org/article/10.1088/0957-4484/27/11/115702
73) Jiang, L.; Zhang, W.; Luo, C.; Cheng, DJ.; Zhu, J. *, Adsorption toward Trivalent Rare Earth Element from Aqueous Solution by Zeolitic Imidazolate Frameworks. Industrial & Engineering Chemistry Research 2016, 55 (22), 6365-6372.
https://pubs.acs.org/doi/10.1021/acs.iecr.6b00422
72) Chang, L.; Fisher, A.; Liu, Z. *; Cheng, DJ.*, Highly sensitive and selective colorimetric detection of sulphide using Ag–Au nanoalloys: a DFT study. RSC Advances 2016, 6 (20), 16285-16291.
https://pubs.rsc.org/en/content/articlelanding/2016/RA/C5RA17361B#!divAbstract
71) Wei, C.; Zhao, Z.; Fisher, A.; Zhu, J. *; Cheng, DJ.*, Theoretical Study on the Structures and Thermal Properties of Ag–Pt–Ni Trimetallic Clusters. Journal of Cluster Science 2016, 27 (6), 1849-1861.
https://link.springer.com/article/10.1007%2Fs10876-016-1068-x
70) Zhao, Z.; Fisher, A.; Shen, Y.; Cheng, DJ.*, Magnetic Properties of Pt-Based Nanoalloys: A Critical Review. Journal of Cluster Science 2016, 27 (3), 817-843.
https://link.springer.com/article/10.1007%2Fs10876-016-0983-1
69) Cheng, DJ.*, Frontiers of Molecular Simulation in China. Molecular Simulation 2016, 42 (10), 783-783.
https://www.tandfonline.com/doi/full/10.1080/08927022.2016.1167443
68) Cheng, DJ.*; Wu, D.; Xu, H.; Fisher, A., Composition-controlled Synthesis of PtCuNPs Shells on Copper Nanowires as Electrocatalysts. ChemistrySelect 2016, 1 (15), 4392-4396.
https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/slct.201600562
67) Chang, L.; Fisher, A.; Liu, Z. *; Cheng, DJ.*, A density functional theory study of sulfur adsorption on Ag–Au nanoalloys. Computational and Theoretical Chemistry 2016, 1085, 66-74.
https://linkinghub.elsevier.com/retrieve/pii/S2210271X16301244
66) Liu, X.; Dai, C.; Wu, D.; Fisher, A.; Liu, Z. *; Cheng, DJ.*, Facile Synthesis of PdAgCo Trimetallic Nanoparticles for Formic Acid Electrochemical Oxidation. Chemistry Letters 2016, 45 (7), 732-734.
https://www.journal.csj.jp/doi/10.1246/cl.160243