1. Xu, Q; Li, L.; Li, Y.; Liu, Z.; Tian, Z.*; Zhan, C.*; Chen, L.* “Theoretical investigation of defective MXenes as potential electrocatalysts for CO reduction toward C2 products”, Phys. Chem. Chem. Phys., 23, 12431-12438 (2021)
2. Zhan, C.*; Sun, Y.; Aydin, F.; Wang, Y.M.; Pham, T.A.* “Confinement effects on the solvation structure of solvated alkaline metal cations in the 1T-MoS2 channel: A First-principles study”, J. Chem. Phys., 154, 164706 (2021)
3. Oyarzun, D.*; Zhan, C. (co-first author); Ceron, M.; Kuo, H.; Hawks, S.; Loeb, C.; Aydin, F.; Pham, T.A.; Stadermann, M.*; Campbell, P.G.* “Unravelling the ion adsorption kinetics in microporous carbon electrodes: a multi-scale quantum-continuum simulation and experimental approach”, ACS Applied Materials & Interfaces., 13, 23567–23574 (2021)
4. Zhan, C.*; Aydin, F.; Schwegler, E.; Noy, A. and Pham, T.A.* “Understanding Cation Selectivity in Carbon Nanopores with Hybrid First-Principles/Continuum Simulations: Implications for Water Desalination and Separation Technologies”, ACS Applied Nano Materials, 3, 9740–9748 (2020)
5. Aydin, F.; Zhan, C. (co-first author); Ritt, C.; Epsztein, R.; Elimelech, M.; Schwegler, E.; Pham, T.A.* “Similarities and Differences between Potassium and Ammonium Ions in Liquid Water: A First-Principles Study” Phys. Chem. Chem. Phys., 22, 2540-2548 (2020)
6. Zhan, C.; Ceron, M.; Hawks, S.; Otani, M.; Wood, B.C.; Pham, T.A.*; Stadermann, M.*; Campbell, P.* “Specific Ion Effects at Graphitic Interfaces” Nat. Comm., 10, 4858 (2019)
7. Zhan, C.; Sun, W.; Xie, Y.; Jiang, D.E.; Kent, P.* “Computational Discovery and Design of MXenes for Energy Applications: Status, Successes, and Opportunities” ACS Applied Materials & Interfaces., 11, 24885-24905 (2019)
8. Zhan, C.; Sun, W.; Kent, Paul; Naguib, M.; Gogotsi, Y.; Jiang, D.E.* “Computational Screening of MXene Electrodes for Pseudocapacitive Energy Storage”, J. Phys. Chem. C, 123, 315-321 (2019)
9. Zhan, C.; Pham, A.*; Cerón, M.R.; Campbell, P.G.; Vedharathinam, V; Otani, M.; Jiang, D.E.; Biener, J.; Wood, B.C.; Biener, M.* “Origins and Implications of Interfacial Capacitance Enhancements in C60-Modified Graphene Supercapacitors.” ACS Applied Materials & Interfaces., 8, 36860–36865 (2018)
10. Zhan, C.; Naguib, M.; Lukatskaya, M.; Kent, P.R.C.; Gogotsi, Y.; Jiang, D.E.* “Understanding the MXene Pseudocapacitance”, J. Phys. Chem. Lett., 9, 1223-1228 (2018)
11. Zhan, C.; Lian, C.; Zhang, Y.; Thompson, M.W.; Xie, Y.; Wu, J.; Kent, P.R.C.; Cummings, P.T.; Jiang, D.E.*; Wesolowski, D.J. “Computational Insights into Materials and Interfaces for Capacitive Energy Storage”, Adv. Sci., 4, 1700059 (2017)
12. Zhan, C.; Zhang, Y.; Cummings, P.; Jiang, D.E.* “Computational Insight into the Capacitive Performance of Graphene Edge Planes”, Carbon, 116, 278-285 (2017)
13. Zhan, C.; Zhang, P.; Dai, S.; Jiang, D.E.* “Boron Supercapacitors”, ACS Energy Lett., 1, 1241-1246 (2016)
14. Zhan, C.; Jiang, D. E.* “Understanding the Pseudocapacitance of RuO2 from Joint Density Functional Theory”, J. Phys. Condens. Matter, 28, 464004 (2016)
15. Zhan, C.; Jiang, D. E.* “Contribution of Dielectric Screening to the Total Capacitance of Few-Layer Graphene Electrodes”, J. Phys. Chem. Lett., 7, 789−794 (2016)
16. Zhan, C.; Zhang, Y.; Cummings, P.T.; Jiang, D. E.* “Enhancing Graphene Capacitance by Nitrogen: Effects of Doping Configuration and Concentration”, Phys. Chem. Chem. Phys., 18, 4668-4674 (2016)
17. Zhan, C.; Neal, J.; Wu, J.; Jiang, D. E.* “Quantum Effects on the Capacitance of Graphene-Based Electrodes”, J. Phys. Chem. C, 119, 22297–22303 (2015)
18. Sun, Y.; Zhan, C.; Kent, P.R.; Jiang, D. “Optimal Linear Water Density for Proton Transport in Tunnel Oxides” J. Phys. Chem. C, 125 (21), 11508–11512 (2021)
19. Zhou, X; Wang, Z; Epsztein, R.; Zhan, C.; Li, W.; Fortner, J.D.; Pham, T.A.; Kim, J.H.; Elimelech, M. “Intra-pore Energy Barriers Govern Ion Transport and Selectivity of Desalination Membranes”, Sci. Adv., 6 (48), eabd9045 (2020)
20. Fleischmann, S.; Mitchell, J.; Wang, R.; Zhan, C.; Jiang, D.; Presser, V. and Augustyn, V. “Pseudocapacitance: From Fundamental Understanding to High Power Energy Storage Materials”, Chem. Rev. 120, 6738–6782 (2020)
21. Aydin, F.; Cerón, M.; Hawks, S.A.; Oyarzun, D.I.; Zhan, C.; Pham, T.A.; Stadermann, M. and Campbell, P. "Selectivity of Nitrate and Chloride Ions in Microporous Carbons: The Role of Anisotropic Hydration and Applied Potentials ", Nanoscale, 12 (39), 20292-20299 (2020)
22. Cerón, M.; Aydin, F.; Hawks, S.A.; Oyarzun, D.I.; Loeb, C.K.; Deinhart, A.; Zhan, C.; Pham, T.A.; Stadermann, M. and Campbell, P.G. "Cation Selectivity in Capacitive Deionization: Elucidating the Role of Pore Size, Electrode Potential and Ion Dehydration", ACS Applied Materials & Interfaces, 12, 42644–42652 (2020)
23. Li, Y.; Li, Z.; Aydin, F.; Quan, J.; Chen, X.; Yao, Y.; Zhan, C.; Chen, Y.; Pham, T.A. and Noy, A. "Water-Ion Permselectivity of Narrow Diameter Carbon Nanotubes", Sci. Adv., 6, eaba9966 (2020)
24. Li, Z.; Li, Y.; Yao, Y.; Aydin, F.; Zhan, C.; Chen, Y.; Elimelech, M.; Pham, T.A.; Noy, A. “Strong Differential Monovalent Anion Selectivity in Narrow Diameter Carbon Nanotube Porins” ACS Nano, 14, 6269–6275 (2020)
25. Polster, J.; Turker Acar, E.; Aydin, F.; Zhan, C.; Pham, T.A.; Siwy, Z.S. “Gating of Hydrophobic Nanopores with Large Anions” ACS Nano, 14, 4306-4315 (2020)
26. Sun, Y.; Zhan, C.; Kent, P.R.C.; Naguib, M.; Gogotsi, Y.; Jiang, D. “Proton Redox and Transport in MXene-Confined Water” ACS Applied Materials & Interfaces, 12, 763-770 (2020)
27. Cerón, M.R.; Zhan, C.; Campbell, P.G.; Freyman, M.C.; Santoyo, C.; Echegoyen, L.; Wood, B.C.; Biener, J.; Pham, T.A.; Biener, M.M. “Integration of Fullerenes as Electron-Acceptors in 3D Graphene Networks: Enhanced Charge Transfer and Stability Through Molecular Design” ACS Applied Materials & Interfaces., 11, 28818-28822 (2019)
28. Hawks, S.A.; Ceron, M.R.; Oyarzun, D.I.; Pham, T.A.; Zhan, C.; Loeb, C.K.; Mew, D.; Deinhart, A.; Wood, B.; Santiago, J.G.; Stadermann, M. “Using Ultramicroporous Carbon for the Selective Removal of Nitrate with Capacitive Deionization” Environ. Sci. Technol., 531, 810863-10870 (2019)
29. Li, R.; Sun, W.; Zhan, C.; Kent, P.; Jiang, D.E. “Interfacial and electronic properties of heterostructures of MXene and graphene.” Phys. Rev. B, 99, 085429 (2019)
30. Lian, C.; Zhan, C.; Jiang, D.; Liu, H.; Wu, J. “Capacitive Energy Extraction by Few-Layer Graphene Electrodes”, J. Phys. Chem. C, 121, 14010-14018 (2017)
31. Tang, J.Y.; Zhan, C.; Yang, L.X.; Hao, L.Y. and Xu, X.; “Synthesis of h-BN encapsulated spherical core–shell structured SiO2@Sr2Si5N8:Eu2+ red phosphors”, Mater. Chem. Phys. 132, 1089–1094 (2012)
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