University of Nebraska-Lincoln
608 Hamilton Hall
Lincoln, NE 68588-0304
Recent News: Nebraska Ice, Two Nature (2020), PNAS WOF porous ices (Aug. 2021), Nature Commun. 2D NaCl ("Nebraska Salt") (Sept. 2021)
- Department of Chemical & Biomolecular Engineering (AIChE Member)
- Nebraska Center for Materials & Nanoscience (MRS Fellow)
- Department of Physics (since 1998) (APS Fellow)
- Google Scholar Citations (47,000) & H-Index (110)
- Web of Science Core Citations (40,000) & H-Index (100)
News Highlights by ACS Chemical & Engineering News (11)
- C&EN May 7, 2018
- C&EN February 8, 2016
- C&EN April 27, 2015
- C&EN April 28, 2014
- C&EN February 11, 2013
- C&EN August 20, 2012
- C&EN May 28, 2012
- C&EN February 14, 2011
- C&EN May 22, 2006
- C&EN August 27, 2001
- C&EN May 1, 2000
News Highlights by RSC Chemistry World (4)
- Chemistry World June 2014
- Chemistry World October 2012
- Chemistry World December 2006
- Chemistry World May 2005
Zeng Research Group
Editor & Editorial Board
- Postdoctoral Fellow, University of California at Los Angeles (1992-1993)
- Postdoctoral Fellow, The University of Chicago (1989-1992)
- Ph.D., The Ohio State University (1989)
- B.Sc., Peking University (1984)
National Honors & Awards
- US Guggenheim Fellow (2004)
- American Physical Society (APS) Fellow (2005)
- American Association for the Advancement of Science (AAAS) Fellow (2007)
- American Chemical Society Midwest Award (2011)
- Fellow of Royal Society of Chemistry (2013)
- Royal Society of Chemistry Surfaces & Interfaces Award (2017); RSC News; UNL News; Peking University News
- Materials Research Society (MRS) Fellow (2019)
- Clarivate Web of Science Highly Cited Researchers (2019, 2020, 2021，2022)
- European Academy of Sciences, Chemistry Division, Foreign Fellow (2020)
12 Most Important Career Findings & Predictions
- The first metal cage molecules in nature (PNAS, 2006) [experimentally confirmed, 2006]
- The first 2D ice -- Bilayer Ice I - (the "Nebraska Ice") (PRL, 1997; Nature, 2000; PNAS, 2019; Nature, 2020) [experimentally confirmed, 2009, 2020]
- The first single-walled ice nanotubes - 1D Ice I, II, III (Nature, 2001) [experimentally confirmed, 2002, 2005, 2006]
- Prediction of helical "DNA-ice" (PNAS, 2006); prediction of a "missing" bulk ice phase (high-density ferroelectric ice χ) in the state-of-the-art phase diagram of water (Nature Communications, 2019); prediction of ultra-low density porous ices (EMT, FAU) and WOF ices in the negative pressure region of water phase diagram (PNAS, 2019; PNAS, 2021)
- A grand unified model for ligand-covered gold clusters (Nature Communications, 2016; Acc. Chem. Res., 2018)
- Development of a universal principle for design of cost-effective single-metal-atom electrocatalysts (Nature Catalysis, 2018)
- Prediction of existence of low-density and high-density liquid water inside isolated carbon nanotube at 280 K (PNAS, 2017) and inside nano-slit (PNAS, 2018)
- Prediction of the first 2D ice clathrate, polymorphism of 2D bilayer ice (PNAS, 2010; PNAS 2012, PNAS 2018), and unexpected phase behavior of 2D NaCl solution (Nature Communications, 2021).
- A new amino-acid hydrophobicity scale based on contact angle of water nanodroplet (PNAS, 2016) (Wikipedia); prediction of the "topological wetting states" for water droplets on superhydrophilic surfaces with closed loop structures (JACS, 2020).
- Prediction of two lead-free all-inorganic perovskites for solar cells (CsGe0.5Sn0.5I3; JACS, 2017); (Cs2TiI6; ACS Energy Lett., 2018) [experimentally confirmed; Patent Publication (WO 2019/067900 A1) ]
- Prediction of 2D χ3-borophene (ACS Nano, 2012) [experimentally confirmed, 2016]; a new 2D monolayer TiS3 with a direct band gap (~1 eV) (Angewandte, 2015) [experimentally confirmed, 2015, 2016]; 2D graphene nanobuds (Nano Letters, 2009); 2D phosphorene polymorphs, 2D ferroelectric, ferroelastic & multiferroic materials (Nano Letters, 2015, 2016, 2016); 2D semiconductors: Al2C, CaP3, P3Cl2 (J. Phys. Chem. Lett., 2016, 2018); GeP3, AuGaS2 (ACS Appl. Mater. Interface, 2018); CuS2 (Nanoscale Horizons, 2019); 2D Perovskites (Adv. Energy Mater., 2017).
- Prediction of the first planar pentacoordinate carbon species CAl5+ as the global minimum (JACS, 2008) (Texas Carbon)
Current Research Activities(1) Surface/Interfaces/Dewetting, (2) Thermodynamics, (3) Nano Clusters and Catalysis, (4) Low-Dimentional Materials
- Interfacial Water/Ice, Thermodynamcis of Low-Dimensional Liquids, Wetting/Dewetting (170+ Publications)
- Inorganic Clusters and Heterogeneous Catalysis (150+ Publications)
- Materials Science (200+ Publications) -- Computer-aided design of low-dimensional materials and materials for solar cells (e.g., 2D materials, perovskites).
Journal Covers (33)
We employ University of Nebraska-Lincoln Supercomputing facility to carry out virtual experiments and explore behavior of matters under extreme conditions, e.g. under high temperature, high pressure, or in highly confined environments, in which real-world experiments may be impractical or inaccessible. As an example, we have revealed several new forms of ice and silicon, solely based on large-scale computer simulations. Below, we show a snapshot of 2-dimensional "Nebraska Ice"; and a snapshot of 1-dimensional single-walled hexagonal silicon nanotube.
Other research activities in my group include computer-aided molecular and materials design. Below, we show a golden "buckyball" Au16 (for the New York Times). In short, the only limitation is our imagination!
News Media Featuring Publications (43) (* corresponding author)
I. Publications on Interfacial Water/Ice, Chemistry at Water Surfaces (26/43)
- [180 Citations] 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 .
- [45 Citations] 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
- 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
- Y. Hong, J. C. Zhang, C. Q. Zhu*, X. C. Zeng*, and J. S. Francisco, "Water desalination through rim functionalized carbon nanotubes," Journal of Materials Chemistry A 7, 3583-3591 (2019). Front Cover, Feb. 19, 2019 , Nebraska Today, Feb. 12, 2019 , Phys.Org, Feb. 12, 2019 , Smart Water Magazine, Feb. 12, 2019
- 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
- [42 Citations] H. Li, J. Zhong, H. Vehkamaki, T. Kurten, W. Wang, M. F. Ge, S. Zhang, Z. S. Li, X. H. 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. 140, 11020-11028 (2018). Research Nebraska, 2018.
- [53 Citations] 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.
- [41 Citations] 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.
- [31 Citations] 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.
- 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
- [72 Citations] 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.
- [67 Citations] L. Li, M. Kumar, C. Q. Zhu, J. Zhong, J. S. Francisco*, and X. C. Zeng*, "Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton-Transfer Mechanism on the Surface of Water," J. Am. Chem. Soc. 138, 1816-1819 (2016). Featured in February, 8, 2016 Chem & Eng News.
- [28 Citations] 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).
- [28 Citations] W. H. Zhao, L. Wang, J. Bai, J. S. Francisco*, and X. C. Zeng*, "Spontaneous Formation of One-Dimensional Hydrogen Gas Hydrate in Carbon Nanotubes," J. Am. Chem. Soc. 136 , 10661-10668 (2014). JACS Spotlights (7/30/2014) , and JACS Cover (7/30/2014) , and by UNL Today (8/15/2014).
- [119 Citations] 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 .
- [120 Citations] 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 .
- [80 Citations] 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
- [73 Citations] 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
- [217 Citations] S. Yoo, X.C. Zeng*, and S.S. Xantheas*, "On the phase diagram of water with density functional theory potentials: The melting temperature of ice Ih with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals," J. Chem. Phys. (Communication) 130, 221102 (2009). The Journal of Chemical Physics Editors' Choice for 2009 , DOE PNNL Research Chemical & Materials Sciences Division Highlights .
- [385 Citations] 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) .
- [97 Citations] N. Arai, K. Yasuoka, and X.C. Zeng*, "Self-Assembly of Surfactants and Polymorphic Transition in Nanotubes," J. Am. Chem. Soc. 130, 7916-7920 (2008).
- [160 Citations] 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
- [1072 Citations] 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
- [332 Citations] 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)
- [205 Citations] K. Koga, X.C. Zeng, and H. Tanaka, "Freezing of confined water: A bilayer ice phase in hydrophobic nanopores," Physical Review Letters 79, 5262-5265 (1997). Featured in May, 1998 The Sciences (www.nyas.org)
- K. Koga and X.C. Zeng, "Scanning Motions of an Atomic Force Microscope Tip in Water," Physical Review Letters 79, 853 (1997). Featured in Photonic Spectra.
II. Publications on Gold Clusters & Heterogeneous Catalysis (17/43)
- [425 Citations] H. X. Xu, D. J. Cheng*, D. P. Cao*, and X. C. Zeng*, "A universal principle for a rational design of single-atom electrocatalysts," Nature Catalysis 1, 339-348 (2018). Nebraska Today, May 15, 2018; Nature Catalysis News, May, 2018; Chemical & Engineering News, May 7, 2018
- [81 Citations] 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 . .
- [226 Citations] J. Dai and X. C. Zeng*, "Titanium Trisulfide Monolayer: Theoretical Prediction of a New Direct-Gap Semiconductor with High and Anisotropic Carrier Mobility," Angew. Chem. Int. Ed. 54, 7682-7686 (2015). UNL Today, June 23, 2015, Popular Mechanics, July 6, 2015.
- [36 Citations] 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.
- [30 Citations] S. Chen and X. C. Zeng*, "Design of Ferroelectric Organic Molecular Crystals with Ultrahigh Polarization," J. Am. Chem. Soc. 136, 6428-6436 (2014). Chem Eng News, April 28, 2014 , JACS Spotlights, April 30, 2014 , UNL Today (April 30, 2014)
- [14 Citations] R. Zhou, B. Qu, J. Dai, and X. C. Zeng*, "Unraveling Crystalline Structure of High-Pressure Phase of Silicon Carbonate," Physiscal Review X 4, 011030 (2014). UNL Today (Feb. 28, 2014) , Omaha World Herald (Feb. 27, 2014),Phys. Org. News , and Nanowerk.
- [153 Citations] C. Liu, Y. Tan, S. Lin, H. Li, X.J. 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. 135, 2583-2595 (2013). Chem & Eng News, Feb. 11, 2013 .
- [139 Citations] 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 .
- [18 Citations] Y. Gao, N. Shao, R. Zhou, G. Zhang, and X. C. Zeng*, "[CTi7+]: Heptacoordinate Carbon Motif?," J. Phys. Chem. Lett. 3, 2264-2268 (2012). Chemistry World, Royal Society of Chemistry, August 14, 2012.
- [118 Citations] R. Pal, L.M. Wang, Y. Pei, L. S. Wang*, and X. C. Zeng*, "Unraveling the mechanisms of O2 activation by size-selected gold clusters: Transition from superoxo to peroxo chemisorption," J. Am. Chem. Soc. 134 , 9438-9445 (2012). Chem & Eng News, May 28, 2012
- [29 Citations] Y. Pei, N. Shao, H. Li, D.-E. Jiang, and X. C. Zeng*, "Hollow Polyhedral Structures in Small Gold-Sulfide Clusters," ACS Nano 5, 1441-1449 (2011). ACS Chem & Eng News, Feb. 14, 2011
- [133 Citations] X. Wu, Y. Pei, and X.C. Zeng*, "B2C Graphene, Nanotubes and Nanoribbons," Nano Letters 9, 1577-1582 (2009). Nature Nanotechnology, March 20, 2009 .
- [380 Citations] 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
- [461 Citations] 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.
- [147 Citations] 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 .
- [149 Citations] 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
- [173 Citations] J. Zhu, R.D. Parra, H. Zeng, E. Skrzypczak-Jankun, X.C. Zeng, and B. Gong, "A New Class of Folding Oligomers: Crescent Oligoamides," J. Am. Chem. Soc. 122, 4219-4220 (2000). Featured in May 1, 2000 Chem. & Eng. News
Other Recent Publications (60)
- J. Jiang, Y. R. Gao, W. D. Zhu, Y. Liu, C. Q. Zhu*, J. S. Francisco*, X. C. Zeng*, "First-Principles Molecular Dynamics Simulations of the Spontaneous Freezing Transition of 2D Water in a Nanoslit," Journal of the American Chemical Society 143, 8177-8183 (2021).
- 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)
- 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).
- Y. R. Gao, C. Q. Zhu, C. Zuhlke, D. Alexander, J. S. Francisco*, and X. C. Zeng*, "Turning a Superhydrophilic Surface Weakly Hydrophilic: Topological Wetting States," Journal of the American Chemical Society 142, 18491-18502 (2020).
- 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).
- H. S. Huang, J. Zhong, X. Tan, X. Guo, B. Yuan, Y. Lin, J. S. Francisco*, and X. C. Zeng*, "New Insights into the Stability of Anhydrous 2H‑Imidazolium Fluoride and its High Dissolution Capability toward a Strongly Hydrogen-Bonded Compound," J. Am. Chem. Soc. 142, 10314-10318 (2020).
- J. Zhong, C. L. Wang*, X. C. Zeng*, and J. S. Francisco*, "Heterogeneous Reactions of SO3 on Ice: An Overlooked Sink for SO3 Depletion," J. Am. Chem. Soc. 142, 2150-2154 (2020)
- J. R. Yang, L. Li, S. X. Wang, H. Li, J. S. Francisco*, X. C. Zeng*, and Y. Gao*, "Unraveling a New Chemical Mechanism of Missing Sulfate Formation in Aerosol Haze: Gaseous NO2 with Aqueous HSO3-/SO32-." J. Am. Chem. Soc. 141, 19312-19320 (2019).
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).
- X. Ao, W. Zhang, Z. Li, J.-G. Li, L. Soule, X. Huang*, W.-H. Chiang, H. M. Chen, C. D. Wang*, M. L. Liu, and X. C. Zeng*, "Markedly Enhanced Oxygen Reduction Activity of Single-Atom Fe Catalysts via Integration with Fe Nanoclusters," ACS Nano 13, 11853-11862 (2019).
- L. Li, M. H. Wu*, and X. C. Zeng*, "Facile and Versatile Functionalization of Two-Dimensional Carbon Nitrides by Design: Magnetism/Multiferroicity, Valleytronics, and Photovoltaics," Advanced Functional Materials 29, 1905752 (2019).
- Y. Guo, Q. S. Wu, Y. Li, N. Lu, K. K. Mao, Y. Bai, J. J. Zhao, J. L. Wang*, and X. C. Zeng*, "Copper(I) sulfide: a two-dimensional semiconductor with superior oxidation resistance and high carrier mobility," Nanoscale Horizons 4, 223-230 (2019).
- L. Ma, Y. L. Jia, S. Ducharme, J. L. Wang, and X. C. Zeng*, "Diisopropylammonium Bromide Based Two-Dimensional Ferroelectric Monolayer Molecular Crystal with Large In-Plane Spontaneous Polarization," J. Am. Chem. Soc. 141, 1452-1456 (2019).
- H. S. Huang, J. Zhong, L. Ma, L. P. Lv, J. S. Francisco*, and X. C. Zeng*, "Reconciling the Debate on the Existence of Pentazole HN5 in the Pentazolate Salt of (N5)6(H3O)3(NH4)4Cl," J. Am. Chem. Soc. 141, 2984-2989 (2019).
- Q. Yang, T. Zhong, Z. Tu, L. Zhu, M. H. Wu*, and X. C. Zeng*, "Design of Single-Molecule Multiferroics for Efficient Ultrahigh-Density Nonvolatile Memories," Advanced Science 6, 1801572 (2019).
- M.-Z. Wang, H.-J. Feng*, C.-X. Qian, J. He, J. Feng, Y.-H. Cao, K. Yang, Z.-Y. Deng, Z. Yang, X. Yao, J. P. Zhou, S. Z. Liu*, and X. C. Zeng*, "PbTiO3 as Electron-Selective Layer for High-Efficiency Perovskite Solar Cells: Enhanced Electron Extraction via Tunable Ferroelectric Polarization," Advanced Functional Materials 9, 1806427 (2019).
- Y. Yang, H. X. Xu, D. P. Cao*, X. C. Zeng*, and D. J. Cheng*, "Hydrogen Production via Efficient Formic Acid Decomposition: Engineering the Surface Structure of Pd-Based Alloy Catalysts by Design," ACS Catalysis 9, 781-790 (2019).
- Y. Qing, H. H. Wu, L. A. Zhang, X. Zhou, Y. Bu, W. Zhang, F. Chu, Y. Li, Y. Kong, Q. B. Zhang*, D. Ding, Y. Tao, Y. Li, M. L. Liu*, and X. C. Zeng*, "Aluminum and Nitrogen Codoped Graphene: Highly Active and Durable Electrocatalyst for Oxygen Reduction Reaction," ACS Catalysis 9, 610-619 (2019).
- 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).
- L. Zhao, H. H. Wu, C. Yang, Q. B. Zhang*, G. Zhong, Z. Zheng, H. Chen, J. Wang, K. He, B. L. Wang, T. Zhu, X. C. Zeng*, M. L. Liu* and M.-S. Wang, "Mechanistic Origin of the High Performance of Yolk@Shell Bi2S3@N-Doped Carbon Nanowire Electrodes," ACS Nano 12, 12597-12611 (2018).
- W. W. Xu, X. C. Zeng, and Y. Gao, "Application of Electronic Counting Rules for Ligand-Protected Gold Nanoclusters," Accounts of Chemical Research 51, 2739-2747 (2018).
- M. G. Ju, J. Dai, L. Ma, Y. Y. Zhou, and X. C. Zeng*, "Zero-Dimensional Organic-Inorganic Perovskite Variant: Transition between Molecular and Solid Crystal," J. Am. Chem. Soc. 140, 10456-10463 (2018).
- H. X. Xu, D. J. Cheng*, Y. Gao*, and X. C. Zeng*, "Assessment of Catalytic Activities of Gold Nanoclusters with Simple Structure Descriptors," ACS Catalysis 8, 9702-9710 (2018).
- 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).
- M. G. Ju, M. Chen, Y. Y. Zhou*, J. Dai, L. Ma, N. P. Padture*, and X. C. Zeng*, "Toward Eco-friendly and Stable Perovskite Materials for Photovoltaics," Joule 2, 1231-1241 (2018).
- Q. S. Wu, Y. Zhang, Q. Zhou, J. L. Wang*, X. C. Zeng*, "Transition-Metal Dihydride Monolayers: A New Family of Two-Dimensional Ferromagnetic Materials with Intrinsic Room-Temperature Half-Metallicity," J. Phys. Chem. lett. 9, 4260-4266 (2018).
- 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).
- M. Kumar, H. Li, X. H. Zhang, X. C. Zeng*, and J. S. Francisco*, "Nitric Acid-Amine Chemistry in the Gas Phase and at the Air-Water Interface," J. Am. Chem. Soc. 140, 6456-6466 (2018).
- J. Zhong, M. Kumar, J. S. Francisco*, and X. C. Zeng*, "Insight into Chemistry on Cloud/Aerosol Water Surfaces," Accounts of Chemical Research 51, 1229-1237 (2018).
- 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).
- [110 Citations] M. G. Ju, M. Chen, Y. Y. Zhou*, H. F. Garces, J. Dai, L. Ma, N. P. Padture*, X. C. Zeng*, "Earth-Abundant Nontoxic Titanium(IV)-based Vacancy-Ordered Double Perovskite Halides with Tunable 1.0 to 1.8 eV Bandgaps for Photovoltaic Applications," ACS Energy Letters 3, 297-304 (2018).
- N. Lu, Z. W. Zhuo, H. Y. Guo, P. Wu, W. Fa, X. J. Wu, and X. C. Zeng*, "CaP3: A New Two-Dimensional Functional Material with Desirable Band Gap and Ultrahigh Carrier Mobility," J. Phys. Chem. Lett. 9, 1728-1733 (2018).
- M. Kumar, J. Zhong, X. C. Zeng*, and J. S. Francisco*, "Reaction of Criegee Intermediate with Nitric Acid at the Air-Water Interface," J. Am. Chem. Soc.140, 4913-4921 (2018).
- R. L. Zhou, B. Y. Qu, D. D. Li, X. R. Sun, and X. C. Zeng*, "Anatase (101) Reconstructed Surface with Novel Functionalities: Desired Bandgap for Visible Light Absorption and High Chemical Reactivity," Advanced Functional Materials 28, 1705529 (2018).
- J. Zhong, C. Q. Zhu, L. Li, G. L. Richmond*, J. S. Francisco*, and X. C. Zeng*, "Interaction of SO2 with the Surface of a Water Nanodroplet," J. Am. Chem. Soc. 139, 17168-17174 (2017).
- Q. S. Wu, W. W. Xu, B. Y. Qu, L. Ma, X. Niu, J. L. Wang*, and X. C. Zeng*, "Au6S2 monolayer sheets: metallic and semiconducting polymorphs," Materials Horizons 4, 1085-1091 (2017). Inside Back Cover (Oct. 30, 2017).
- M. H. Wu* and X. C. Zeng*, "Bismuth Oxychalcogenides: A New Class of Ferroelectric/Ferroelastic Materials with Ultra High Mobility," Nano Letters 17, 6309-6314 (2017).
- M. Kumar, J. Zhong, J. S. Francisco*, and X. C. Zeng*, "Criegee intermediate-hydrogen sulfide chemistry at the air/water interface," Chemical Science 8, 5385-5391 (2017).
- C. Ling, L. Shi, Y. Outang, X. C. Zeng*, and J. L. Wang*, "Nanosheet Supported Single-Metal Atom Bifunctional Catalyst for Overall Water Splitting," Nano Letters 17, 5133-5139 (2017).
- M. G. Ju, J. Dai, L. Ma, and X. C. Zeng*, "Perovskite Chalcogenides with Optimal Bandgap and Desired Optical Absorption for Photovoltaic Devices," Advanced Energy Materials 7, 1700216 (2017).
- J. Zhong, M. Kumar, C. Q. Zhu, J. S. Francisco*, and X. C. Zeng*, "Surprising Stability of Larger Criegee Intermediates on Aqueous Interfaces," Angew. Chem. Int. Ed. 56, 7740-7744 (2017).
- [100 Citations] M. G. Ju, J. Dai, L. Ma, and X. C. Zeng*, "Lead-Free Mixed Tin and Germanium Perovskites for Photovoltaic Application," J. Am. Chem. Soc. 139, 8038-8043 (2017).
- L. Ma, J. Dai, and X. C. Zeng*, "Two-Dimensional Single-Layer Organic-Inorganic Hybrid Perovskite Semiconductors," Advanced Energy Materials 7, 1601731 (2017). Journal Cover (April 5, 2017) , Wiley Materials Views (March 13, 2017)
- L. Ma and X. C. Zeng*, "Catalytic Directional Cutting of Hexagonal Boron Nitride: The Roles of Interface and Etching Agents," Nano Letters 17, 3208-3214 (2017).
- F. Ceballos, M. G. Ju, S. D. Lane, X. C. Zeng*, and H. Zhao*, "Highly Efficient and Anomalous Charge Transfer in van der Waals Trilayer Semiconductors," Nano Letters 17, 1623-1628 (2017). Kansas University Today (March, 14, 2017)
- M. Z. Bellus, M. Li, S. D. Lane, F. Ceballos, Q. Cui, X. C. Zeng*, and H. Zhao*, "Type-I an der Waals heterostructure formed by MoS2 and Re2 monolayers," Nanoscale Horizons 2, 31-36 (2017). Journal Cover (Jan. 1, 2017), Nebraska Today, Jan. 20, 2017.
- 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
- M. H. Wu* and X. C. Zeng*, "Intrinsic Ferroelasticity and/or Multiferroicity in Two-Dimensional Phosphorene and Phosphorene Analogues,"Nano Letters 16, 3236-3241 (2016).
- M. H. Wu*, S. Dong, K. Yao, J. Liu, and X. C. Zeng*, "Ferroelectricity in Covalently functionalized Two-dimensional Materials: Integration of High-mobility Semiconductors and Nonvolatile Memory," Nano Letters 16, 7309-7315 (2016).
- S. Pande, W. Huang, N. Shao, L.-M. Wang, N. Khetrapal, W. N. Mei, T. Jian, L. S. Wang*, and X. C. Zeng*, "Structural Evolution of Core Shell Gold Nanoclusters: Au-n (n = 42-50)," ACS Nano 10, 10013-10022 (2016).
- C. Q. Zhu, M. Kumar, J. Zhong, L. Li, J. S. Francisco*, and X. C. Zeng*, "New Mechanistic Pathways for Criegee-Water Chemistry at the Air/Water Interface," J. Am. Chem. Soc. 138, 11164-11169 (2016).
- Y. N. Arai, K. Yasuoka, and X. C. Zeng*, "Self-Assembly of Janus Oligomers into Onion-like Vesicles with Layer-by-Layer Water Discharging Capability: A Minimalist Model," ACS Nano 10, 8026-8037 (2016). Nebraska Today, Sept. 22, 2016
- B. Zhu, F. C. Wang, J. Bai, X. C. Zeng*, and H. A. Wu*, "Compression Limit of Two-Dimensional Water Constrained in Graphene Nanocapillaries," ACS Nano 9, 12197-12204 (2015).
- Q. Hu, W. L. Guo*, and X. C. Zeng*, "Water in Inhomogeneous Nanoconfinement: Coexistence of Multilayered Liquid and Transition to Ice Nanoribbons," ACS Nano 9, 9877-9884 (2015).
- L. Li, P. F. Li, N. Lu, J. Dai, and X. C. Zeng*, "Simulation evidence of hexagonal-to-tetragonal ZnSe structure transition: a monolayer material with wide-range tunable direct bandgap," Advanced Science, 1500290 (2015). Inside Cover, Dec. 15, 2015
- [223 Citations] M. H. Wu, H. Fu, L. Zhou, K. L. Yao, and X. C. Zeng*, "Nine New Phosphorene Polymorphs with Non-Honeycomb Structures: A Much Extended Family," Nano Letters 15, 3557-3562 (2015).
- [156 Citations] F. Y. Li, Y. F. Li, X. C. Zeng*, and Z. F. Chen*, "Exploration of High-Performance Single-Atom Catalysts on Support M1/FeOx for CO Oxidation via Computational Study," ACS Catalysis 5, 544-552 (2015). Cover in ACS Catalysis, February 6, 2015, and featured in UNL Today, February 27, 2015
- [87 Citations] H. Li, L. Li, A. Pedersen, Y. Gao, N. Khetrapal, H. Jonsson*, and X. C. Zeng*, "Magic-Number Gold Nanoclusters with Diameters from 1 to 3.5 nm: Relative Stability and Catalytic Activity for CO Oxidation," Nano Letters 15, 682-688 (2015).
- [86 Citations] W.-H. Zhao, L. Wang, J. Bai, L.-F. Yuan, J. L. Yang, and X. C. Zeng*, "Highly Confined Water: Two-Dimensional Ice, Amorphous Ice, and Clathrate Hydrates," Accounts of Chemical Research 47, 2505-2513 (2014).
- [678 Citations] J. Dai and X. C. Zeng*, "Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells," J. Phys. Chem. Lett. 5, 1289-1293 (2014).