Department of Materials Science and Engineering

Prof. Xiaocheng ZENG

BS Peking University, China
PhD The Ohio State University, USA

Head;
Chair Professor of Materials Chemistry & Chemical Engineering

Foreign Fellow, European Academy of Sciences
Fellow, Materials Research Society (MRS)
Fellow, American Association for the Advancement of Science (AAAS)
Fellow, American Physical Society (APS)
Fellow, Royal Society of Chemistry (RSC)
Fellow, John Simon Guggenheim Memorial Foundation

Office: BOC-R7133
Phone: +(852)-3442-8448
Fax: +(852)-3442-0892
Email: msehead@cityu.edu.hk
Web: https://chem.unl.edu/person/xiao-cheng-zeng/;CityU scholar

BS Peking University, China
PhD The Ohio State University, USA


Head;
Chair Professor of Materials Chemistry & Chemical Engineering

Foreign Fellow, European Academy of Sciences
Fellow, Materials Research Society (MRS)
Fellow, American Association for the Advancement of Science (AAAS)
Fellow, American Physical Society (APS)
Fellow, Royal Society of Chemistry (RSC)
Fellow, John Simon Guggenheim Memorial Foundation


Office: BOC-R7133
Phone: +(852)-3442-8448
Fax: +(852)-3442-0892
Email: msehead@cityu.edu.hk
Web: https://chem.unl.edu/person/xiao-cheng-zeng/;CityU scholar

Biography

Professor Xiaocheng Zeng, inspired by his father - late Professor Jinyan ZENG (曾谨言) in Peking University - pursued a career in physical science. After receiving his bachelor degree in Physics from Peking University, he pursued postgraduate study in US via CUSPEA program (initiated by Nobel Laureate in Physics Professor Tsung-Dao Lee), and received his Ph.D. in Condensed Matter Physics from The Ohio State University. He then did his postdoctoral research in Physical Chemistry at University of Chicago and UCLA. Before he joined the MSE faculty of City University of Hong Kong, he was a Chancellor’s University Professor in the University of Nebraska-Lincoln (UNL). He served as an Associate Editor for the Royal Society of Chemistry journal Nanoscale from 2012 – 2022.

His computational research has focused on physics and chemistry of water surface/interface, confined fluid in nanopores, wetting/dewetting on nanostructured surfaces, thermodynamics and phase transitions of water/ice/ice hydrate, structural evolution of nanoclusters, heterogeneous catalysis, and physical properties of low-dimensional materials and perovskites.

As of Apr. 2026, he has published 760 scientific papers (see Table below for selected publications) in refereed journals, with Google Scholar h-index of 130 and citations of 67,000+; Web of Science h-index of 114 and citations of 57,000+. Among these publications, 11 were featured in ACS Chemical & Engineering News, 4 featured in RSC Chemistry World, and 34 were highlighted as journal cover.

Journal Name Number  [* (co)-corresponding author]
Nature/Science 8   [4 *]
Nature Physics/Materials/Nanotechnology/Photonics/
Sustainability/Energy/Catalysis/Synthesis/Reviews Chemistry		 11   [9 *]
Nature Communications/Science Advances 25   [16 *]
PNAS 26   [24 *]
J. Am. Chem. Soc.  (JACS) 75  [62 *]
Angewandte Chemie 23  [16 *]
Phys. Rev. Lett./Phys. Rev. X 9  [4 *]
ACS Nano/Nano Lett. 45  [31 *]

 

Honors/Awards

Top 0.05% Highly Ranked Scholar (Lifetime; 2024,2025)
Foreign Fellow, European Academy of Sciences, Chemistry Division (2020)
Highly Cited Researcher, Clarivate Web of Science (2019, 2020, 2021, 2022, 2023, 2024,2025)
Fellow, Materials Research Society (2019)
Surfaces & Interfaces Award, Royal Society of Chemistry (2017)
Fellow, Royal Society of Chemistry (2013)
Midwest Award, American Chemical Society (2011)
Fellow, American Association for the Advancement of Science (2007)
Fellow, American Physical Society (2005)
Fellow, John Simon Guggenheim Memorial Foundation (2004).

Selected Publications (N/S series, PNAS)

  1. D. Gao, S. Lu, C. Zhang, N. Wang, Z. Yu, X. Sun, R. Martin, F. Vanin, L. Qian, N. Long, L. Lüer, B. Li, M. Stolterfoht, J. Hou, J. Yin, Y.-H. Lin, H. Lu, N. Li, N. Gasparini, C. J. Brabec, S. D. Stranks*, X. C. Zeng*, Z. Zhu*, "Autonomous closed-loop framework for reproducible perovskite solar cells," Nature, (2026). https://www.nature.com/articles/s41586-026-10482-y.
  2. M. Wang, J. Jiang, C. Huang, W. Zhang*, X. C. Zeng*, "Matter in ångström-scale two-dimensional confinement," Nature Reviews Chemistry 10, 243-257 (2026). ScienceNet News, Mar., 16, 2026. Front Cover
  3. X. Wang, Q. Fan, W. Wang, X. Liang, Z. Liu, L. Wang, Q. Kong, X. Li, C. C. Li, S. Wang, Z. Xue, Y. Ren*, X. C. Zeng*, Q. Liu*, "Solvent intercalation in layered cathodes for ultrafast sodium-ion batteries," Nature Energy, (2026). https://doi.org/10.1038/s41560-026-01995-x. ScienceNet News, Mar., 9, 2026.
  4. H. Tian, Q. Yin, Y. Li, L. Li, Q. Liu, J. Zhong*, X. C. Zeng*, J. Huang*, Y. Deng*, "A solvent-in-salt method for optoelectronic perovskite synthesis," Nature Synthesis, (2026). https://doi.org/10.1038/s44160-026-01020-9.
  5. W. Zheng, S. Zhang, J. Jiang, Y. He, R. Stöhr, A. Denisenko, J. Wrachtrup, X. C. Zeng*, K. Bian*, E.-G. Wang*, Y. Jiang*, "Experimental observation of liquid–solid transition of nanoconfined water at ambient temperature," Nature Materials 25, 495-501 (2026). ScienceNet News, Jan., 15, 2026.
  6. Q. Xu,  X. Yao, H. Y. Chung, X. Liang, Z. Zhang, Z. Zhang, W. K. Lo, Y. Zeng, X. C. Zeng*, Y. H Ng*, S. Wang*, "Electricity-free hydrogen production from the air," Nature Communications 17, 1445 (2026).
  7. H. Lin, J. Jiang, Y.Dou, P. Lyu, X. Han, Y. Meng, Y. He, X. Zhou, K. Li, G. Lin, Y. Teng, J. Chen, Y. Meng, T. Osipowicz, X. Zhao*, X. C. Zeng*, J. Lu*, "Ultraclean monolayer amorphous carbon yields a high-precision proton beam," Nature Nanotechnology 20, 1431-1438 (2025).
  8. D. Gao, B. Li, X. Sun, Q. Liu, C. Zhang, L. Qian, Z. Yu, X. Li, X. Wu, B. Liu, N. Wang, F. Vanin, X. Xia, J. Gong, N. Li, X. C. Zeng*, Z. Li*, Z. Zhu*, "High-efficiency perovskite solar cells enabled by suppressing intermolecular aggregation in hole-selective contacts," Nature Photonics 19, 1070-1077 (2025).
  9. C.-W. Tung, W. Zhang*, T. Y. Lai, J. Wang, Y.-C. Chu, G.-B. Wang, C.-S. Hsu, Y.-F. Liao, N. Hiraoka, H. Ishii, X. C. Zeng*, H. M. Chen*, "Spin crossover-driven diiron electrocatalyst boosts sustainable water oxidation," Nature Sustainability 8, 793-805 (2025).
  10. J. Gong, D. Gao, H. Zhang, X. Liang, B. Li, Q Liu, L. Qian, X. Li, X. Wu, C. Zhang, Z. Yu, F. Vanin, X. C. Zeng*, N. Li*, J. Xu*, C. Zhi*, Z. Zhu*, "Highly efficient all-perovskite photovoltaic-powered battery with dual-function viologen for portable electronics," Nature Communications 16, 7980 (2025).
  11. L. Wang, J. Jiang*, S. Liu, S. Lin, J. Yan, Y. Zhu, J. Xia., R. Wang, C. Wang, C. Tang*,  X. C. Zeng*, "Twisted bilayer Ice as a new class of hydrogen-bonding moiré materials," Nature Communications 16, 8762 (2025).
  12. Z. Zhu, S. Gu, C. Chang*, H. Qu, Z. Xiang, C Wang, Y. Li*, J. S. Francisco*, X. C. Zeng*, "Computational study of terahertz-driven controllable molecular isomerization," Nature Communications 16, 7081 (2025).
  13. Y. Yan, X. Liang, L. Wang, Y. Zhang, J. Zhou, W. Wang, Z. Zhang, Y. Zhou, I. Firdous, Z. Lai, W. Wang, P. Xie, Y. Xiong, W. A. Daoud, Z. Fan, D.-M. Shin, Y. Yang, Y Lu*, X. C. Zeng*, Y. Meng*, J. C. Ho*, "Flexoelectric manipulation of ferroelectric polarization in self-strained tellurium," Science Advances 11, eadu1716(2025).
  14. D. Wu, Z. Zhao, B. Lin, Y. Song, J. Qi, J. Jiang, Z. Yuan, B. Cheng, M. Zhao, Y. Tian, Z. Wang, M. Wu, K. Bian, K.-H. Liu*, L.-M. Xu*, X. C. Zeng*, E.-G. Wang*, Y. Jiang*, "Probing structural superlubricity of two-dimensional water transport with atomic resolution," Science 384, 1254-1259 (2024).  CityU Research News, Jun. 14, 2024, Peking University News, Jun. 14, 2024, Beijing-Hong Kong Academic Exchange Centre Jun. 18, 2024.
  15. D. Gao, B. Li, Qi. Liu, Z. Yu, S. Li, J. Gong, L. Qian, F. Vanin, K. Schutt, M. A. Davis, A. F. Palmstrom, S. P. Harvey, N. J. Long, J. M. Luther, X. C. Zeng, Z. Zhu*, "Long-term stability in perovskite solar cells through atomic layer deposition of tin oxide," Science 386, 187-192 (2024).
  16. J. Jiang, Y. Gao, L. Li,  W. Zhu, C. Zhu*, J. S. Francisco*, X. C. Zeng*,  "Rich proton dynamics and phase behaviours of nanoconfined ices," Nature Physics 20, 456–464 (2024). CityU Research Story, Apr. 11, 2024, Reported by Beijing-Hong Kong Academic Exchange Centre, Apr. 11, 2024.
  17. D. Lin, S. Wang, W. Xu, Y. Chen, P. Li, Y.-G. Fang, W. Zhao, X. Duan, X. Yang, W.-H. Fang, X. C. Zeng*, J. S. Francisco*, Y. Gao*, "Topological wetting states of microdroplets on closed-loop structured surfaces: Breakdown of the Gibbs equation at the microscale," Proc. Natl. Acad. Sci. USA 121(15),e2315730121(2024). Phys.org Highlight, Apr. 3, 2024.
  18. J.-H. Liu, C. Huang, H. Wu, Y. Long, X. Tang, H. Li, J. Shen, B. Zhou, Y. Zhang, Z. Xu, J. Fan*, X. C. Zeng*, J.  Lu*, Y. Y. Li*, "From salt water to bioceramics: Mimic nature through pressure-controlled hydration and crystallization," Science Advances  10, eadk5047 (2024). 
  19. H. Xu, D. Cheng*, D. Cao*, X. C. Zeng*,  "Revisiting the universal principle for the rational design of single-atom electrocatalysts," Nature Catalysis 7,  207-218 (2024).
  20. B. Li, Q. Liu, J. Gong, S. Li, C. Zhang, D. Gao, Z. Chen, Z. Li, X. Wu, D. Zhao, Z. Yu, X. Li, Y. Wang, H. Lu*, X. C. Zeng*, Z. Zhu*, "Harnessing strong aromatic conjugation in low-dimensional perovskite heterojunctions for high-performance photovoltaic devices," Nature Communications 15, 2753 (2024).
  21. B. Lin, J. Jiang, X. C. Zeng*, L. Li*, "Temperature-pressure phase diagram of confined monolayer water/ice at first-principles accuracy with a machine-learning force field," Nature Communications 14, 4110 (2023).
  22. Z. Y. Wan, Y. R. Gao, X. Y. Chen, X. C. Zeng*, Joseph S. Francisco*, and C. Q. Zhu*, "Anomalous water transport in narrow-diameter carbon nanotubes," Proc. Natl. Acad. Sci. USA 119(39), e2211348119 (2022). 
  23. W. H. Zhao, Y. Sun, W. D. Zhu, J. Jiang, X. R. Zhao, D. D. Lin, W. W. Xu, X. M. Duan, J. S. Francisco*, X. C. Zeng*, "Two-dimensional monolayer salt nanostructures can spontaneously aggregate rather than dissolve in dilute aqueous solutions," Nature Communications 12, 5602 (2021).  Featured in Nebraska Today (Oct. 1, 2021)
  24. Y. Liu, W. D. Zhu, J.  Jiang, C. Q. Zhu, C. Liu, B. Slater, L. Ojamae, J. S. Francisco*, X. C. Zeng*, "Formation of porous ice frameworks at room temperature," Proc. Natl. Acad. Sci. USA 118, e2104442118 (2021).
  25. W. H. Xu, H. Zheng, Y. Liu, X. F. Zhou, C. Zhang, Y. Song, X. Deng, M. Leung, Z. Yang, R. X. Xu, Z. L. Wang*, X. C. Zeng*, and Z. K. Wang*, "A droplet-based electricity generator with high instantaneous power density," Nature 578, 392-396 (2020). Nebraska Today, Feb. 11, 2020, Science Daily, Feb. 5, 2020 , Institution of Mechanical Engineers, Feb. 6, 2020 , Siliconrepublic, Feb. 6, 2020 , TechXplore, Feb. 5, 2020 , Smart Water Magazine, Feb. 7, 2020 , ElectronicsforU.com, Feb. 7, 2020 .
  26. F. Wang, J. Ma, S. Xin, Q. Wang, J. Xu, C. B. Zhang*, H. He, and X. C. Zeng*, "Resolving the puzzle of single-atom silver dispersion on nano-sized γ-Al2O3 surface for high catalytic performance," Nature Communications 11, 529 (2020).
  27. R. Ma, D. Cao, C. Q. Zhu, Y. Tian, J. Peng, J. Guo, J. Chen, X.-Z. Li, J. S. Francisco, X. C. Zeng*, L.-M. Xu*, E.-G. Wang*, and Y. Jiang*, "Atomic imaging of edge structure and growth of a two-dimensional hexagonal ice," Nature 577, 60-63 (2020). Nebraska Today, Jan. 2, 2020 PhysicsWorld, Jan. 14, 2020, Penn Today, Jan. 1, 2020 Nature Chemistry, Jan. 20, 2020ScienceNet.cn, Jan. 2, 2020, Sina.com, Jan. 2, 2020, Zhishe, Jan. 2, 2020
  28. L. W. Li, J. Zhong, Y. Yan, J. Zhang*, J. F. Xu*, J. S. Francisco*, and X. C. Zeng*, "Unraveling nucleation pathway in methane clathrate formation," Proc. Natl. Acad. Sci. USA 117, 24701-24708 (2020).  Nanoer, Sept. 23, 2020
  29. L. Liu, J. Zhong, H. Vehkamaki, T. Kurten, L. Du, X. H. Zhang*, J. S. Francisco*, and X. C. Zeng*, "Unexpected quenching effect on new particle formation from the atmospheric reaction of methanol with SO3," Proc. Natl. Acad. Sci. USA 116, 24966-24971 (2019).
  30. W. D. Zhu, Y. Y. Huang, C. Q. Zhu, H. H. Wu, L. Wang, J. Bai, J. L. Yang, J. S. Francisco, J. J. Zhao*, L. F. Yuan*, and X. C. Zeng*, "Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram," Nature Communications 10:1925 (2019).    Materials & Testing, April 29, 2019
  31. J. Bai, J. S. Francisco*, and X. C. Zeng*, "Two-dimensional dry ices with rich polymorphic and polyamorphic phase behavior," Proc. Natl. Acad. Sci. USA 115, 10263-10268 (2018).
  32. L. Li, Z. Duan, H. Li, C. Q. Zhu, G. Henkelman*, J. S. Francisco*, and X. C. Zeng*, "Formation of HONO from the NH3-promoted hydrolysis of NO2 dimers in the atmosphere," Proc. Natl. Acad. Sci. USA 115, 7236-7241 (2018).
  33. C. Ge, C. Q. Zhu, J. S. Francisco*, X. C. Zeng*, and J. Wang*, "A molecular perspective for global modeling of upper atmospheric NH3 from freezing clouds," Proc. Natl. Acad. Sci. USA115, 6147-6152 (2018).
  34. T. Kaneko, J. Bai, T. Akimoto, J. S. Francisco*, K. Yasuoka*, and X. C. Zeng*, "Phase behaviors of deeply supercooled bilayer water unseen in bulk water," Proc. Natl. Acad. Sci. USA 115, 4839-4844 (2018).
  35. J. Liu, C. Q. Zhu, K. Liu, Y. Jiang, Y. Song, J. S. Francisco*, X. C. Zeng*, and J. J. Wang*, "Distinct ice patterns on solid surfaces with various wettabilities," Proc. Natl. Acad. Sci. USA 114, 11285-11290 (2017).  Nature Highlight (Oct. 9, 2017),  Nebraska Today (Oct. 18, 2017),  Omaha KETV 7 Evening News (Dec. 20, 2017), Lincoln Journal Star (front-page report, Jan. 24, 2018), TECH BEAT, Feb. 18, 2018.
  36. S. W. Wu, C. Q. Zhu, Z. He, H. Xue, Q. Fan, Y. Song, J. S. Francisco, and X. C. Zeng*, and J. J. Wang*, "Ion-specific ice recrystallization provides a facile approach for the fabrication of porous materials," Nature Communications 8, 15154 (2017). Nebraska Today, May 3, 2017, Phys. Org., May 3, 2017.
  37. K. Nomura, T. Kaneko, J. Bai, J. S. Francisco*, K. Yasuoka*, and X. C. Zeng*, "Evidence of Low-Density and High-Density Liquid Phases and Isochore End Point for Water Confined to Carbon Nanotube," Proc. Natl. Acad. Sci. USA 114, 4066-4071 (2017). Nebraska Today, April 3, 2017, Phys. Org., April 4, 2017.
  38. W. W. Xu, B. Zhu, X. C. Zeng*, Y. Gao*, "A grand unified model for liganded gold clusters," Nature Communications  7, 13574 (2016).  Nebraska Today, Dec. 13, 2016; Technology.org, Dec. 14, 2016 .
  39. C. Q. Zhu, Y. R. Gao, H. Li, S. Meng, L. Li, J. S. Francisco*, and X. C. Zeng*, "Characterizing hydrophobicity of amino acid side chains in a protein environment via measuring contact angle of a water nanodroplet on planar peptide network," Proc. Natl. Acad. Sci. USA 113, 12946-12951 (2016).  New Amino-Acid Hydrophobicity Scale based on Contact Angle of Water Nanodroplet (Wikipedia). Nebraska Today, Dec. 13, 2016. XMOL highlight, Dec. 22, 2016
  40. R. X. He, L. Li, J. Zhong, C. Q. Zhu, J. S. Francisco*, and X. C. Zeng*, "Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations," Proc. Natl. Acad. Sci. USA 113, 4629-4633 (2016). UNL News, April 12, 2016, Latest News Space, Apr. 13, 2016
  41. Y. Huang, C. Zhu, L. Wang, X. Cao, Y. Su, X. Jiang, S. Meng, J. J. Zhao*, and X. C. Zeng*, "A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III," Science Advances  2, e1501010 (2016). UNL News, February 12, 2016, Phys.Org, Feb. 12, 2016, Cosmos Magazine, Feb. 15, 2016, Science alert, Feb. 15, 2016, Technology Grip, Feb. 15, 2016, Sci-News.com, Feb. 15, 2016.
  42. H. Li, J. S. Francisco*, and X. C. Zeng*, "Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels," Proc. Natl. Acad. Sci. USA 112, 10851-10856 (2015). UNL Today, Aug. 28, 2015, Phys.Org (Aug. 25, 2015).
  43. W. W. Xu, Y. Gao*, and X. C. Zeng*, "Unraveling structures of protection ligands on gold nanoparticle Au68(SH)32," Science Advances  1, e1400211 (2015). Chem & Eng News, April 27, 2015, ScienceDaily, April 28, 2015, Phys.Org, UNL Today, April 27, 2015, WEB TECHKING.com, BEFORE IT'S News.
  44. J. Bai and X. C. Zeng*, "Polymorphism and polyamorphism in bilayer water confined to slit nanopore under high pressure," Proc. Natl. Acad. Sci. USA 109, 21240-21245 (2012). Phys.org (12/12/12) , Lincoln Journal Star (12/13/12) , National Science Foundation, News From the Field, (12/12/12) , UNL Today, Dec. 17, 2012 .
  45. L. Wang*, B. Liu, H. Li, W. Yang, Y. Ding, S. V. Sinogeikin, Y. Meng, Z. Liu, X. C. Zeng, and W. L. Mao, "Long-Range Ordered Carbon Clusters: A Crystalline Material with Amorphous Building Blocks," Science 337, 825-828 (2012). UNL Today, Aug. 17, 2012 , and Phys.Org, Aug. 16, 2012 , Science Perspective, Aug. 17, 2012 .
  46. X. Zhou, G. Liu, K. Yamato, Y. Shen, R. Cheng, X. Wei, W. Bai, Y. Gao, H. Li, Y. Liu, D. M. Czajkowsky, J. Wang, M. J. Dabney, Z. Cai, J. Hu, F. V. Bright, L. He, X. C. Zeng, Z. Shao*, and B. Gong*. "Self-assembling subnanometer pores with unusual mass-transport properties," Nature Communications 3, 1038 (2012). UNL News Release, July 17,2012 , University at Buffalo News, July 17, 2012 ,RSC, July 18, 2012 , National Science Foundation , Bioon (in Chinese) , Argonne National Lab. , DOE Pulse, July 30, 2012 , DOE Office of Science, Aug. 20, 2012 .
  47. H.-X. Zhao, X.-J. Kong, H. Li, Y.-C. Jin, L. Long*, X.C. Zeng*, R.-B. Huang, and L.-S. Zheng, "Transition from one-dimensional water to ferroelectric ice within a supramolecular architecture," Proc. Natl. Acad. Sci. USA 108, 3481-3486 (2011). UNL Today, Feb. 17, 2011 , PhysOrg.com, Feb. 25, 2011 , , The Daily Scientist
  48. J. Bai, C.A. Angell, and X.C. Zeng*, "Guest-free monolayer clathrate: coexistence and phase transition between two-dimensional low-density and high-density ice," Proc. Natl. Acad. Sci. USA 107 , 5718-5722 (2010). UNL News Releases, March 25, 2010
  49. T. Koishi, K. Yasuoka, S. Fujikawa, T. Ebisuzaki, and X.C. Zeng*, "Coexistence and Transition between Cassie and Wenzel State on Pillared Hydrophobic Surface," Proc. Natl. Acad. Sci. USA 106, 8435-8440 (2009). Omaha KETV 7 News (video) (June 23, 2009). NSF News From the Field (May 4, 2009) , US News and World Report (May 6, 2009) , The Times of India (May 5, 2009) , Popular Mechanics (May 13, 2009) .
  50. J. Bai, J. Wang, and X.C. Zeng*, "Multiwalled ice helixes and ice nanotubes," Proc. Natl. Acad. Sci. USA 103, 19664-19667 (2006). Earth & Sky Radio Show , American Scientist (The Magazine of Sigma Xi Scientific Research Society) , Royal Society of Chemistry (England) , Nature May 31, 2007 , Nature Nanotechnology Jan. 5, 2007 , New Scientist Dec. 12, 2006 , The Science Coalition , Science Daily , Lincoln Journal Star - Dec. 13, 2006 , Nanotechnology World , ZDNet , Materials gate , Nano Werk , Mad Cow News Site ,Physorg , Newswise , Azo-nano , Sufficiently advanced , Innovations Report (Germany) , Nanotechwire ,EurekAlert , What's Next In Science & Technology , Cogito.org , CCNews , Abrahadabra , Roland Piquepaille's Technology Trends , Metareligion
  51. S. Bulusu, X. Li, L.S. Wang*, and X.C. Zeng*, "Evidence of hollow golden cages," Proc. Natl. Acad. Sci. USA 103, 8326-8330 (2006). Reported by UNL Press - May 17, 2006 , Omaha World Herald - May 17, 2006 ,New York Times - May 23, 2006 , Nature - May 25, 2006 , Nature Nanotechnology - March 23, 2007 , Chem & Eng. News - May, 17, 2006 , and Seattle Post-Intelligencer - May 16, 2006 , Royal Society of Chemistry (England), CERN (Courier) , Wikipedia , Newswise , High Performance Computing wire , Interest Alert , Engineer online ,Innovations report , Inside BayArea.com , SpaceDaily , Nanotechweb , EurekAlert , Nanotechwire , The NanoTechnology Group Inc , Photonics , AZoNano , Physorg.com , Science Daily , WhatsnextNetwork.com ,Voyle.net , SoftPedia , Free Republic , Netcomposites , YubaNet.com
  52. B. Kiran, S. Bulusu, H.-J. Zhai, S. Yoo, X.C. Zeng*, and L.S. Wang*, "Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes, " Proc. Natl. Acad. Sci. USA102, 961-964 (2005). Reported by UNL Press March 22, 2005 , and Daily Nebraskan - March 25, 2005 , and featured by US USDA CSREE Service , by PhysOrg.com ,  and by High Performance Computing wire.
  53. J. Bai, X.C. Zeng*, H. Tanaka, and J.Y. Zeng, "Metallic single-walled silicon nanotubes," Proc. Natl. Acad. Sci. USA 101, 2664-2668 (2004). Reported in UNL Newspaper - Scarlet . Also featured by Intute Spotlight, by BETTERHUMANS , by NewsWise , by Magazine of American Society ofMechanical Engineers , byMaterialstoday , by SMALL , by Advanced Materials & Processes (ASM Inter national), May 2004 , and byNanonordic .
  54. B. Gong*, H. Zeng, J. Zhu, Y. Han, M. Furukawa, R.D. Parra, A.Y. Kovalevsky, J.L. Mills, E. Skrzypczak-Jankun, S. Martinovic, R.D. Smith, C. Zheng, T. Szyperski, and X.C. Zeng, "Creating Nanocavities of Tunable Sizes: Hollow Helices," Proc. Natl. Acad. Sci. USA 99, 11583-11588 (2002). Featured in Aug. 26, 2002 Chem. & Eng. News; Listed in The 20 Most-Frequently-Read Chemistry in PNAS during September 2002
  55. K. Koga*, G.T. Gao, H. Tanaka, and X.C. Zeng, "Formation of ordered ice nanotubes inside carbon nanotubes," Nature 412, 802-805 (2001). Reported in UNL 8/22/01 News Release , National Scicence Foundation - Office of Legislative and Public Affairs 11/05/2001 News Media Tip , The HINDU 9/20/2001 (India's National Newspaper) , AScribe 8/23/01 Newswire , Smalltimes News , www.chemweb.com Alchemist ,www.sciencedaily.com , and featured in Aug. 27, 2001 Chem. & Eng. News 
  56. K. Koga*, H. Tanaka, and X.C. Zeng, "First-order transition in confined water between high-density liquid and low-density amorphous phases," Nature 408, 564-567 (2000). Reported in UNL Scarlet and Daily Nebraskan, and featured on www.chemweb.com, www.newswise.com , Sunday Telegraph (London) , Lincoln Journal Star, and also on www.newton.com.tw (Taiwan)

Selected Publications (JACS)

  1. Y. Zhang, N. Wei, L. Li, Y. Liu, C. Huang, Z. Li, Y. Huang, D. Zhang*, J. S. Francisco*, J. Zhao*, C. Wang*, X. C. Zeng*, "Fully Atomistic Molecular Dynamics Simulation of Ice Nucleation Near an Antifreeze Protein," J. Am. Chem. Soc. 2025, 147, 5, 4411–4418. 
  2. Y. Gao*, S. Wang, J. Jiang, Y. Liu, J. S. Francisco*, X. C. Zeng*, "Evidence of Spontaneous Formation of Two-Dimensional Amorphous Clathrates on Superhydrophilic Surfaces," J. Am. Chem. Soc. 2024, 146, 4, 2503–2513.
  3. W. Zhao, W. W. Xu, J. Jiang, X. Zhao, X. Duan, Y, Sun*, J. S. Francisco*, and X. C. Zeng*, "Evidence of Formation of Monolayer Hydrated Salts in Nanopores," J. Am. Chem. Soc. 2022, 144, 41, 18976–18985.
  4. J. Jiang, Y. Gao, W. Zhu, Y. Liu, C. Zhu*, J. S. Francisco*, X. C. Zeng*, "First-Principles Molecular Dynamics Simulations of the Spontaneous Freezing Transition of 2D Water in a Nanoslit," J. Am. Chem. Soc. 2021, 143, 21, 8177–8183.
  5. Y. Gao, C. Zhu, C. Zuhlke, D. Alexander, J. S. Francisco*, andX. C. Zeng*, "Turning a Superhydrophilic Surface Weakly Hydrophilic: Topological Wetting States," J. Am. Chem. Soc. 2020, 142, 43, 18491–18502.
  6. J. Yang, L. Li, S. Wang, H. Li, J. S. Francisco*, X. C. Zeng*, and  Yi Gao*, "Unraveling a New Chemical Mechanism of Missing Sulfate Formation in Aerosol Haze: Gaseous NO2 with Aqueous HSO3–/SO32–," J. Am. Chem. Soc. 2019, 141, 49, 19312–19320.
  7. H. Li, J. Zhong, H. Vehkamäki, T. Kurtén, W. Wang, M. Ge, S. Zhang, Z. Li, X. Zhang*, J. S. Francisco* and X. C. Zeng*, "Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation," J. Am. Chem. Soc. 2018, 140, 35, 11020–11028.
  8. M. Ju, J. Dai, L. Ma and X. C. Zeng*, "Lead-Free Mixed Tin and Germanium Perovskites for Photovoltaic Application," J. Am. Chem. Soc. 2017, 139, 23, 8038–8043.
  9. L. Li and  X. C. Zeng*, "Direct Simulation Evidence of Generation of Oxygen Vacancies at the Golden Cage Au16 and TiO2 (110) Interface for CO Oxidation," J. Am. Chem. Soc. 2014, 136, 45, 15857–15860.
  10. W. Zhao, L. Wang, J. Bai, J. S. Francisco*, X. C. Zeng*, "Spontaneous Formation of One-Dimensional Hydrogen Gas Hydrate in Carbon Nanotubes," J. Am. Chem. Soc. 2014, 136, 30, 10661–10668.
  11. L. Li, Y. Gao, H. Li, Y. Zhao, Y. Pei*, Z. Chen and X. C. Zeng*, "CO Oxidation on TiO2 (110) Supported Subnanometer Gold Clusters: Size and Shape Effects," J. Am. Chem. Soc. 2013, 135, 51, 19336–19346.
  12. C. Liu, Y. Tan, S. Lin, H. Li, X. Wu, L. Li, Y. Pei* and X. C. Zeng*, "CO Self-Promoting Oxidation on Nanosized Gold Clusters: Triangular Au3 Active Site and CO Induced O–O Scission," J. Am. Chem. Soc. 2013, 135, 7, 2583–2595.
  13. R. Pal, L. Wang, Y. Pei, L.-S. Wang*, X. C. Zeng*, "Unraveling the Mechanisms of O2 Activation by Size-Selected Gold Clusters: Transition from Superoxo to Peroxo Chemisorption," J. Am. Chem. Soc. 2012, 134, 22, 9438–9445. 
  14. N. Shao, W. Huang, Y. Gao, L. Wang, X. Li, L. Wang* and X. C. Zeng*, "Probing the Structural Evolution of Medium-Sized Gold Clusters: Aun− (n = 27−35)," J. Am. Chem. Soc. 2010, 132, 18, 6596–6605.
  15. Y. Pei, Y. Gao and X. C. Zeng*, "Structural Prediction of Thiolate-Protected Au38: A Face-Fused Bi-icosahedral Au Core," J. Am. Chem. Soc. 2008, 130, 25, 7830–7832.

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