News Media Featuring Publications (12)

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 (vedio) (June 23, 2009) , NSF News From the Field (May 4, 2009) .

X. Wu, Y. Pei, and X.C. Zeng, "B₂C Graphene, Nanotubes and Nanoribbons," Nano Lett. 9, 1577-1582 (2009). Nature Nanotehnology, March 20, 2009 .

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). JACS Select 2008

[19 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

[90 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

[51 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. USA 102, 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 , by ChinaInfo , and by High Performance Computing wire .

[49 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 , by Materialstoday , by SMALL , and by Advanced Materials & Processes (ASM Inter national), May 2004 .

[78 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 (2002). Featured in Aug. 26, 2002 Chem. & Eng. News; Listed in The 20 Most-Frequently-Read Chemistry in PNAS during September 2002

[270 Citations] K. Koga, G.T. Gao, H. Tanaka, and X.C. Zeng, " Formation of ordered ice nanotubes inside carbon nanotubes, " Nature 412, 802 (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.newswise.com , www.sciencedaily.com , and featured in Aug. 27, 2001 Chem. & Eng. News

[93 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 (2000). Reported in UNL Scarlet and Daily Nebraskan,
and featured on www.chemweb.com, Sunday Telegraph (London) , Lincoln Journal Star, and also on www.newton.com.tw (Taiwan)

[59 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

[62 Citations] K. Koga, X.C. Zeng, and H. Tanaka, "Freezing of confined water: A bilayer ice phase in hydrophobic nanopores, " Phys. Rev. Lett. 79, 5262 (1997). Featured in May, 1998 The Sciences (www.nyas.org)

[10 Citations] K. Koga and X.C. Zeng, "Scanning Motions of an Atomic Force Microscope Tip in Water, " Phys. Rev. Lett. 79, 853 (1997). Featured in Photonic Spectra.

Publications on Si Clusters (17)

S. Yoo, N. Shao, and X.C. Zeng, "Structures and relative stability of medium and large-sized silicon clusters VI. Fullerene cage motifs for low-lying clusters Si₃₉, Si₄₀, Si₅₀, Si₆₀, Si₇₀ and Si₈₀," J. Chem. Phys. 128, 104316 (2008).

[10 Citations] S. Yoo, N. Shao, C. Koehler, Th. Frauenheim, and X.C. Zeng, "Structures and relative stability of medium-sized silicon clusters V. Low-lying endohedral fullerene-like clusters Si₃₁-Si₄₀ and Si₄₅," J. Chem. Phys. 124, 164311 (2006).

[22 Citations] S. Yoo and X.C. Zeng, "Structures and relative stability of medium-sized silicon clusters IV. Motif based low-lying clusters Si₂₁-Si₃₀," J. Chem. Phys. 124, 054304 (2006).

[17 Citations] S. Yoo and X.C. Zeng, " Structures and stability of medium-sized silicon clusters III. Reexamination of motif transition in growth pattern from Si₁₅ to Si₂₀," J. Chem. Phys. 123, 164303 (2005).

[37 Citations] X.L. Zhu, X.C. Zeng, Y.A. Lei, and B. Pan, " Structures and stability of medium silicon clusters II: Ab initio molecular orbital calculatios of Si₁₂ - Si₂₀, " J. Chem. Phys. 120, 8985 (2004).

[60 Citations] X. Zhu and X.C. Zeng, " Structures and stabilities of small silicon clusters I: Ab initio molecular orbital calculations of Si₇ - Si₁₁ " J. Chem. Phys. 118, 3558 (2003).

S. Yoo, N. Shao, and X.C. Zeng, "Reexamine structures and relative stability of medium-sized silicon clusters: Low-lying endohedral fullerene-like clusters Si₃₀ - Si₃₈," Phys. Lett. A 373, 3757-3760 (2009).

N. Shao, S. Bulusu, and X.C. Zeng, "Search for lowest energy structure of Zintl dianion Si₁₂^2-, Ge₁₂^2-, and Sn₁₂^2-," J. Chem. Phys. 128, 154326 (2008).

Y. Pei, Y. Gao, and X.C. Zeng, "Exohedral silicon fullerenes: Si_NPt_N/2 (20 < N < 60)," J. Chem. Phys. 127, 044704 (2007).

[27 Citations] J. Bai, L.-F. Cui, J.L. Wang, S. Yoo, X. Li, J. Jellinek, C. Koehler, Th. Frauenheim, L.S. Wang, and X.C. Zeng, "Structural Evolution of Anionic Silicon Clusters Si_N (20 < N < 45)," J. Phys. Chem. A 110, 908-912 (2006).

[50 Citations] S. Yoo and X.C. Zeng, " Motif transition in growth pattern of small-to-medium sized silicon clusters, " Angew. Chem. Int. Ed. 44, 1491-1495 (2005).

[17 Citations] J. Zhao, J.L. Wang, J. Jellinek, S. Yoo and X.C. Zeng, " Stuffed fullerene structures for medium-sized silicon clusters, " Euro. Phys. J. D 34, 35 (2005).

Y. Gao, C. Killblane, and X.C. Zeng, "Structures and Stabilities of Small Silicon Cluster: High-Level Ab initio Calculations of Si₆," Computing Letters 1, 343-347 (2005).

[61 Citations] S. Yoo, J.J. Zhao, J.L. Wang, and X.C. Zeng, " Endohedral silicon fullerenes Si_N (27 < N < 39), " J. Am. Chem. Soc. 126, 13845-13849 (2004).

[36 Citations] S. Yoo, X.C. Zeng, X. Zhu, and J. Bai, " Possible lowest-energy geometry of silicon cluster Si₂₁ and Si₂₅, " J. Am. Chem. Soc. 125, 13318-13319 (2003).

[6 Citations] Y. Gao and X.C. Zeng, " M₄@Si₂₈(M = Al, Ga, In): Metal-Encapsulated Silicon Fullerenes," J. Chem. Phys. 123, 204325 (2005).

[31 Citations] S. Yoo and X.C. Zeng, " Global geometry optimization of silicon clusters described by three empirical potentials," J. Chem. Phys. 119, 1442 (2003).

Publications on Al, Ag, Au, B, C, Ge, H₂O Clusters (40)

Y. Pei, Y. Gao, N. Shao, and X.C. Zeng, "Thiolate-Protected Au₂₀(SR)₁₆ Cluster: Prolate Au₈ Core with New [Au₃(SR)₄] Staple Motif," J. Am. Chem. Soc. 131, 13619-13621 (2009).

Y. Gao, W. Huang, J. Woodford, L.S. Wang, and X.C. Zeng, "Detecting Weak Interactions between Au^- and Gas Molecules: A Photoelectron Spectroscopic and Ab Initio Study," J. Am. Chem. Soc. 131, 9484-9485 (2009).

W. Huang, S. Bulusu, R. Pal, X.C. Zeng, and L.S. Wang, "Structural Transition of Gold Nanoclusters: From the Golden Cage to the Golden Pyramid," ACS Nano 3, 1225-1230 (2009).

R. Pal, L.-M. Wang, W. Huang, L.S. Wang, and X.C. Zeng, "Structural Evolution of Doped Gold Clusters: MAu_x^- (M = Si, Ge, Sn; x = 5 - 8)," J. Am. Chem. Soc. 131, 3396-3404 (2009).

Y. Pei, W. An, K. Ito, P. Schleyer, and X.C. Zeng, "Planar Pentacoordinate Carbon in CAl₅⁺: A Global Minimum," J. Am. Chem. Soc. 130, 10394-10400 (2008).

Y. Gao, N. Shao and X.C. Zeng, "Ab initio Study of Thiolate-Protected Au₁₀₂ Nanocluster," ACS Nano 2, 1497-1503 (2008).

[24 Citations] 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. 130, 7830-7832 (2008).

Y. Pei and X.C. Zeng, "Probing the Planar Tetra-, Penta-, and Hexa-coordinate Carbon in Carbon-Boron Mixed Clusters" J. Am. Chem. Soc. 130, 2580-2592 (2008).

[14 Citations] L.-M. Wang, S. Bulusu, W. Huang, R. Pal, L.S. Wang, and X.C. Zeng, "Doping the Golden Cage Au₁₆^- with Si, Ge, and Sn, " J. Am. Chem. Soc. 129, 15136-15137 (2007).

[12 Citations] J. Wang, J. Bai, J. Jellinek, and X.C. Zeng, "Gold-Coated Transition Metal Anion [Mn₁₃@Au₂₀]^- with Ultrahigh Magnetic Moment," J. Am. Chem. Soc. 129, 4110-4111 (2007).

[27 Citations] L.-M. Wang, S. Bulusu, H.-J. Zhai, X.C. Zeng, and L.S. Wang, "Doping the Golden Buckyballs: Cu@Au₁₆^- and Cu@Au₁₇^-," Angew. Chem. Int. Ed. 46, 2915-2918 (2007).

[35 Citations] Y. Gao, S. Bulusu, and X.C. Zeng, " Gold-Caged Metal Clusters with Large HOMO-LUMO Gap and High Electron Affinity," J. Am. Chem. Soc. 127, 15680-15681 (2005).

[38 Citations] Y. Gao and X.C. Zeng, " Au₄₂: An Alternative Icosahedral Golden Fullerene Cage," J. Am. Chem. Soc. 127, 3698-3699 (2005).

X. Zhang, J.L. Wang, and X.C. Zeng, "Ab initio study of structural, electronic and magnetic properties of V_n(C₆₀)_m complexes," J. Phys. Chem. A 113, 5406-5413 (2009).

L.M. Wang, R. Pal, W. Huang, X.C. Zeng, and L.S. Wang, "Tuning the electronic properties of the golden buckyball by endohedral doping: M@Au₁₆^- (M = Ag, Zn, In)", J. Chem. Phys. (Communication) 130, 051101/1-4 (2009).

L.M. Wang, J. Bai, A. Lechtken, W. Huang, D. Schooss, M.M. Kappes, X.C. Zeng, and L.S. Wang, "Magnetic Doping of the Golden Cage Cluster: M@Au₁₆^- (M = Fe, Co, Ni)," Phys. Rev. B 79, 033413/1-4 (2009).

N. Shao, Y. Pei, Y. Gao, and X.C. Zeng, "Onset of Double Helical Structure in Small-Sized Homoleptic Gold Thiolate Clusters," J. Phys. Chem. A (Letter) 113, 629-632 (2009).

Y. Gao, N. Shao and X.C. Zeng, "Medium-Sized Double Magic Metal Clusters: Al@Cu₅₄^- and Al@Ag₅₄^-," J. Chem. Phys. 129, 084703 (2008).

Y. Gao, N. Shao, S. Bulusu, and X.C. Zeng, "Effective CO Oxidation on Endohedral Gold-Cage Nanoclusters," J. Phys. Chem. C 112, 8234-8238 (2008).

C. Killblane, Y. Gao, N. Shao, and X.C. Zeng "Search for Lowest-Energy Nonclassical Fullerenes III: C₂₂," J. Phys. Chem. A 113, 8839-8844 (2009).

W. An, N. Shao, S. Bulusu, and X.C. Zeng, "Ab initio calculation of carbon clusters II: Relative stabilities of fullerene and non-fullerene C₂₄" J. Chem. Phys. 128, 084301-1/9 (2008).

G. Li, R.F. Sabirianov, J. Lu, X.C. Zeng, and W.N. Mei, "Electronic and magnetic properties of endohedrally doped fullerene Mn@C₆₀: A total energy study," J. Chem. Phys. 128, 074304-1/6 (2008).

R. Pal, L.-F. Cui, S. Bulusu, H.-J. Zhai, L.S. Wang, X.C. Zeng, "Probing the electronic and structural properties of doped aluminum clusters: MAl₁₂^- (M = Li, Cu, and Au)," J. Chem. Phys. 128, 024305-1/8 (2008).

N. Shao, Y. Gao, and X.C. Zeng, "Search for Lowest-Energy Fullerenes II: C₃₈ to C₈₀ and C₁₁₂ to C₁₂₀," J. Phys. Chem. C 111, 17671-17677 (2007).

[19 Citations] X. Gu, S. Bulusu, X. Li, X.C. Zeng, J. Li, X.G. Gong, and L.S. Wang, "Au₃₄^-: A fluxional core-shell cluster," J. Phys. Chem. C 111, 8228-8232 (2007).

[12 Citations] S. Bulusu, X. Li, L.S. Wang, and X.C. Zeng, "Structural Transitions from Pyramidal to Fused Planar to Tubular to Core/Shell Compact in Gold Clusters: Au_n^- (n= 21 - 25)," J. Phys. Chem. C 111, 4190-4198 (2007).

R. Sabirianov, W.-N. Mei, J.Lu, Y Gao, X.C. Zeng, R. Bolskar, P. Jeppson, N. Wu, A. Caruso, P. Dowben "Correlation effects and electronic structure of Gd@C₆₀," J. Phys.: Condensed Matter 19, 082201 (2007).

R. Pal, S. Bulusu, and X.C. Zeng, "Exploring the lowest-energy structures of group IV tetra-aurides: XAu₄(X = C, Si, Ge, Sn)" J. Comput. Methods Sci. Eng. 7, 185-193 (2007).

[10 Citations] J. Lu, R.F. Sabirianov, W.N. Mei, Y. Gao, C. Duan, and X.C. Zeng, "Structural and Magnetic Properties of Gd₃N@C₈₀," J. Phys. Chem B 110, 23637-23640 (2006).

[20 Citations] Y. Gao, S. Bulusu, and X.C. Zeng, " A Global Search of Highly Stable Gold-Covered Bimetallic Clusters M@Au_n (n = 9-17)," ChemPhysChem 7, 2275-2278 (2006).

[15 Citations] S. Bulusu, S. Yoo, E. Apra, S. Xantheas and X.C. Zeng, " The lowest-energy structures of water clusters (H₂O)₁₁ and (H₂O)₁₃," J. Phys. Chem. A 110, 11781-11784 (2006).

[26 Citations] S. Bulusu and X.C. Zeng, " Structures and relative stability of gold clusters: Au_n (n = 15-19)," J. Chem. Phys. 125, 154303 (2006).

N. Shao, Y. Gao, S. Yoo, W. An and X.C. Zeng, " Search for lowest-energy fullerenes: C₉₈ to C₁₁₀," J. Phys. Chem. A 110, 7672-7676 (2006).

J. Lu, W.N. Mei, Y. Gao, X.C. Zeng, M. Jing, G. Li, R. Sabirianov, Z. Gao, L. You, J. Xu, D. Yu, and H. Ye, " Structural and electronic properties of Gd@C₆₀: All-electron relativistic total-energy study," Chem. Phys. Lett. 425, 82-84 (2006).

S. Yoo and X.C. Zeng, " Search for global-minimum geometries of medium-sized germanium clusters. II. Motif-based low-lying clusters Ge₂₁-Ge₂₉," J. Chem. Phys. 124, 184309 (2006).

[10 Citations] W. An, S. Bulusu, Y. Gao, and X.C. Zeng, " Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron cluster B₂₀ and B₂₀^-," J. Chem. Phys. 124, 154310 (2006).

[7 Citations] K. Park, M.R. Pederson, L.L. Boyer, W.N. Mei, R.F. Sabirianov, X.C. Zeng, S. Bulusu, S. Curran, J. Dewald, E. Day, S. Adenwalla, M. Diaz, L.G. Rosa, S. Balaz, and P.A. Dowben, "Electronic structure and vibrational spectra of B₁₀C₂ based clusters and films," Phys. Rev. B 73, 035109 (2006).

[21 Citations] W. An, Y. Gao, S. Bulusu, and X.C. Zeng, " Ab initio calculation of bowl, cage and ring isomers of C₂₀ and C₂₀^-, " J. Chem. Phys. 122, 204109 (2005).

[12 Citations] S. Bulusu, S. Yoo, and X.C. Zeng, " Search for global minimum geometries for medium sized germanium clusters: Ge₁₂-Ge₂₀, " J. Chem. Phys. 122, 164305 (2005).

[10 Citations] H. Tanaka, R. Yamamoto, K. Koga, and X.C. Zeng, " Can thin disk-like ice clusters be more stable than compact droplet-like ice cluster? " Chem. Phys. Lett. 304, 378 (1999).

Publications in Nano Sciences (46)

X. Wu and X.C. Zeng, "Double Metallocene Nanowires," J. Am. Chem. Soc. 131, 14246-14248 (2009).

J.S. Ferguson, K. Yamato, R. Liu, L. He, X.C. Zeng, and B. Gong, "One-pot Formation of Large Macrocycles with Modifiable Peripheries and Internal Cavities," Angew. Chem. Int. Ed. 48, 3150-3154 (2009).

X. Zhang, J.L. Wang, Y. Gao, and X.C. Zeng, "Ab Initio Study of Structural and Magnetic Properties of TM_n(ferrocene)_n+1 (TM= Sc, Ti, V, Mn) Sandwich Clusters and Nanowire (n = ∞)," ACS Nano 3, 537-545 (2009).

X. Wu and X.C. Zeng, "Periodic Graphene Nanobuds," Nano Lett. 9, 250-256 (2009).

W. Feng, K. Yamato, L. Yang, L. Zhong, S. Zou, L. Yuan, X.C. Zeng, and B. Gong, "Efficient Kinetic Macrocyclization," J. Am. Chem. Soc. 131, 2629-2637 (2009).

J. Jiang, O.V. Lima, Y. Pei, X.C. Zeng, L. Tan, and E. Forsythe, "Dipole-Induced, Thermally Stable Lamellar Structure by Polar Aromatic Silane," J. Am. Chem. Soc. 131, 900-901 (2009).

J. Yan, Z. Chen, J.Y. Jiang, L. Tan, and X.C. Zeng, "Free-Standing All-Nanoparticle Thin Firbers: A Novel Nanostructure Bridging Zero-and One-Dimensional Nanoscale Features," Adv. Mater. 21, 314-319 (2009).

C. Luo, W. Fa, J. Zhou, J. Dong, and X.C. Zeng, "Ferroelectric Ordering in Ice Nanotubes Confined in Carbon Nanotubes," Nano Lett. 8, 2607-2612 (2008).

X. Wu and X.C. Zeng, "First-Principles Study of Carbon Nanobud," ACS Nano 2 , 1459-1465 (2008).

F. Namavar, C.L. Cheung, R.F. Sabirianov, W.N. Mei, X.C. Zeng, G. Wang, H. Haider, and K.L. Garvin, "Lotus Effect in Engineered Zirconia," Nano Lett. 8, 988-996 (2008).

W. An, Y. Pei, and X.C. Zeng, "CO oxidation catalyzed by single-walled helical gold nanotube," Nano Lett. 8, 195-202 (2008).

X. Wu, Z. Xu, and X.C. Zeng, "Single-walled MoTe₂ nanotubes," Nano Lett. 7, 2987-2992 (2007).

[12 Citations] L. He, Y. An, L. Yuan, W. Feng, M. Li, D. Zhang, K. Yamato, C. Zheng, X.C. Zeng, and B. Gong "Shape-persistent macrocyclic aromatic tetrasulfonamides: Molecules with nanosized cavities and their nanotubular assemblies in solid state," Proc. Natl. Acad. Sci. USA 103, 10850-10855 (2006).

[25 Citations] X. Wu, W. An, and X.C. Zeng, "Chemical Functionalization of Boron-nitride Nanotubes with NH₃ and Amino Functional Groups, " J. Am. Chem. Soc. 128, 12001-12006 (2006).

[23 Citations] T. Koishi, S. Yoo, K. Yasuoka, X.C. Zeng, T. Narumi, R. Susukita, A. Kawai, H. Furusawa, A. Suenaga, N. Okimoto, N. Futatsugi, and T. Ebisuzaki, "Nanoscale hydrophobic interaction and nanobubble nucleation, " Phys. Rev. Lett. 93, 185701/1-4 (2004).

[45 Citations] X. Yang, L. Yuan, K. Yamato, A.L. Brown, W. Feng, M. Furukawa, X.C. Zeng, and B. Gong, "Backbone-Rigidified Oligo(m-phenylene ethynylenes), " J. Am. Chem. Soc. 126, 3148 (2004).

K. Yamato, L. Yuan, W. Feng, A.J. Helsel, A.R. Sanford, J. Zhu, J. Deng, X.C. Zeng and B. Gong, "Crescent oligoamides as hosts: conformation-dependent binding specificity," Org. Biomol Chem. 7, 3643-3647 (2009).

M. Wu, X. Wu, Y. Gao, and X.C. Zeng, "Materials Design of Half Metallic Graphene and Graphene Nanoribbons," Appl. Phys. Lett. 94, 223111/1-3 (2009)

L. Yang, L. Zhong, K. Yamato, X. Zhang, W. Feng, P. Deng, L. Yuan, X.C. Zeng, and Bing Gong, "Aromatic oligoamide macrocycles from the bimolecular coupling of folded oligomeric precursors," New J. Chem. 33, 729-733 (2009).

[10 Citations] Er-Jun Kan, Xiaojun Wu, Zhenyu Li, X.C. Zeng, Jinlong Yang, and J.G. Hou, "Half-metallicity in hybrid BCN nanoribbons," J. Chem. Phys. 129, 084712 (2008).

X. Wu and X.C. Zeng, "Sawtooth-like Graphene Nanoribbon," Nano Research 1, 40-45 (2008).

S. Hu, Z. Li, X.C. Zeng, and J.L. Yang, "Electronic structures of defective BN nanotubes under transverse electric fields," J. Phys. Chem. C 112, 8424-8428 (2008).

X. Wu, Y. Gao, and X.C. Zeng, "Hydrogen storage in pillared Li-dispersed boron carbide nanotubes," J. Phys. Chem. C 112, 8458-8463 (2008).

X. Wang, Z. Huang, T. Wang, Y.W. Tang, and X.C. Zeng, "Structure and thermophysical properties of single-wall Si nanotubes," Physica B 403, 2021-2028 (2008).

W. An, X. Wu, and X.C. Zeng, "Adsorption of O₂, H₂, CO, NH₃ and NO₂ on ZnO Nanotube: A Density-functional Theory Study," J. Phys. Chem. C 112, 5747-5755 (2008).

[11 Citations] W. An, X. Wu, J.L. Yang, and X.C. Zeng, "Adsorption and surface reactivity on single-walled boron nitride nanotube containing Stone-Wales defect," J. Phys. Chem. C 111, 14105-14112 (2007).

F. Namavar, G. Wang, C.L. Cheung, J. Bai, R. Sabirianov, X.C. Zeng, W.N. Mei, J. Brewer, H. Haider, and K.L. Garvin, "Thermal Stability of nanostructurally stabilized zirconium oxide," Nanotechnology 18, 415702 (2007).

B. Yan,, G. Zhou, X.C. Zeng, J. Wu, B.-L. Gu, W. Duan, "Quantum confinement of crystalline silicon nanotubes with nonuniform wall thickness: Implication to modulation doping," Appl. Phys. Lett. 91, 103107 (2007).

Y. Gao and X.C. Zeng, "Ab initio Study of hydrogen binding with metal-organic framework," J. Phys: Condens. Matter 19, 386220 (2007).

J. Bai and X.C. Zeng, "Silicon Based Half Metal: Metal Encapsulated Silicon Nanotube," Nano 2, 109-114 (2007).

W. An, X. Wu, and X.C. Zeng, "Effect of apical defects and doped atoms on field emission of boron nitride nanocones," J. Phys. Chem. B 110, 16346-16352 (2006).

X. Wu and X.C. Zeng, "Adsorption of transition metal atoms on boron nitride nanotube: A density-functional study," J. Chem. Phys. 125, 044711 (2006).

[22 Citations] X. Wu, J.L. Yang, and X.C. Zeng, "Adsorption of hydrogen molecules on the platinum-doped boron nitride nanotubes," J. Chem. Phys. 125, 044704 (2006).

[21 Citations] A.M. Zhang, Y.H. Han, K. Yamato, X.C. Zeng, and B. Gong, " Aromatic Oligoureas: Enforced folding and assisted cyclization," Org. Lett. 8, , 803-806 (2006).

T. Koishi, K. Yasuoka, T. Ebisuzaki, S. Yoo, and X.C. Zeng, " Large-scale Molecular Dynamics Simulation of Nanoscale Hydrophobic Interaction and Nanobubble Formation," J. Chem. Phys. 123, 204707 (2005).

[7 Citations] R.D. Parra, S. Bulusu, and X.C. Zeng, " Cooperative effects in two-dimensional ring-like networks of three-center hydrogen bonding interactions, " J. Chem. Phys. 122, 184325 (2005).

[24 Citations] X.W. Yang, A.L. Brown, M. Furukawa, S. Li, W.E. Gardinier, E.J. Bukowski, F.V. Bright, C. Zheng, X.C. Zeng and B. Gong, " A new strategy for folding oligo(m-phenylene ethynylenes) " Chem. Commun., 56-57 (2003).

[21 Citations] J. Bai, C.-R. Su, R.D. Parra, X.C. Zeng, H. Tanaka, K. Koga, and J.-M. Li, " Ab initio studies of quasi-one-dimensional pentagon and hexagon ice nanotubes " J. Chem. Phys. (Communication) 118, 3913 (2003).

[24 Citations] R.D. Parra, S. Bulusu and X.C. Zeng, " Cooperative effects in one-dimensional chains of three-center hydrogen bonding interactions " J. Chem. Phys. 118, 3499 (2003).

[9 Citations] J. Slovak, H. Tanaka, K. Koga, and X.C. Zeng " Computer simulation of bilayer ice: structures and thermodynamics " Physica A 319, 163 (2003).

J. Bai, X.C. Zeng, K. Koga, and H. Tanaka, " Formation of quasi-two-dimensional bilayer ice in hydrophobic slit: A possible candidate for ice XIII?, " Molecular Simulation 29, 619 (2003).

[23 Citations] R.D. Parra, B. Gong, and X.C. Zeng, "Energetics and Cooperativity in Three-Center Hydrogen Bonding Interactions: II. Intramolecular Hydrogen Bonding Systems, " J. Chem. Phys. 115, 6036 (2001).

[12 Citations] R.D. Parra, M. Furukawa, B. Gong, and X.C. Zeng, " Energetics and Cooperativity in Three-Center Hydrogen Bonding Interactions: I. Diacetamide-X Dimers, (X=HCN, CH₃OH), " J. Chem. Phys. 115, 6030 (2001).

[18 Citations] R.D. Parra and X.C. Zeng, " Rotational Barrier for 1,1-Difluoroethane, 1,1,1,2-Tetrafluoroethane, Pentafluoroethane and Hexafluoroethane: A Density Functional and Ab Initio Molecular Orbital Study, " J. Phys. Chem. A 102, 654 (1998).

K. Koga and X.C. Zeng, " Imaging Point Defects in Liquid Environment: A Model Study, " Phys. Rev. B60, 14328 (1999).

W.E. Doering, R.D. Parra, and X.C. Zeng, " Cooperativity Effects in Cyclic Trifluoromethanol Trimer: An Ab Initio Study, " J. Mol. Struct. (Theochem) 431, 119 (1998).

20 Other Most Cited Publications

[181 Citations] X.C. Zeng and D.W. Oxtoby, " Gas-liquid Nucleation in Lennard-Jones Fluids, " J. Chem. Phys. 94, 4472 (1991).

[177 Citations] X.C. Zeng, D.J. Bergman, P.M. Hui and D. Stroud, " Effective Medium Theory for Weakly Nonlinear Composites," Phys. Rev. B 38, 10970 (1988).

[70 Citations] G.T. Gao, X.C. Zeng, and H. Tanaka, " The melting temperature of proton-disordered hexagonal ice: A computer simulation of TIP4P model of water, " J. Chem. Phys. 112, 8534 (2000).

[65 Citations] X.C. Zeng and D.W. Oxtoby, " Binary Homogeneous Nucleation Theory for the Gas-Liquid Transition: A Nonclassical Approach, " J. Chem. Phys. 95, 5940 (1991).

[51 Citations] K. Koga, X.C. Zeng and A.K. Shchekin, " Validity of Tolman's equation: How large should a droplet be? " J. Chem. Phys. 109, 4063 (1998).

[50 Citations] R.D. Parra, H. Zeng, J. Zhu, C. Zheng, X.C. Zeng, and B. Gong, " Stable Three-Center Hydrogen Bonding in a Partially Rigidified Structure, " Chem. Eur. J. 7, 4352 (2001).

[48 Citations] X.C. Zeng, P.M. Hui, D.J. Bergman, and D. Stroud, " Mean Field Theory for Weakly-Nonlinear Composites, " Physica A 157, 192 (1989).

[41 Citations] K.J. Oh and X.C. Zeng, "Formation free energy of clusters in vapor-liquid nucleation: A Monte Carlo simulation study, " J. Chem. Phys. 110, 4471 (1999).

[38 Citations] X.C. Zeng and D.W. Oxtoby, " Applications of Modified Weighted Density Functional Theory: Freezing of Simple Liquids," J. Chem. Phys. 93, 2692 (1990).

[38 Citations] W.H. Shih, Z.Q. Wang, X.C. Zeng and D. Stroud, "Ginzburg-Landau Theory for the Solid-Liquid Interface of bcc Elements," Phys. Rev. A 35, 2611 (1987).

[38 Citations] X.C. Zeng and D.W. Oxtoby, " Density Functional Theory for Freezing of a Binary Hard Sphere Liquid," J. Chem. Phys. 93, 4357 (1990).

[37 Citations] Y. Koyama, H. Tanaka, G. Gao, and X.C. Zeng, " Melting points and thermal expansivities of proton-disordered hexagonal ice with several model potentials, " J. Chem. Phys. 121, 7926 (2004).

[35 Citations] K. Koga, G.T. Gao, H. Tanaka, and X.C. Zeng, " How does water freeze inside carbon nanotubes? " Physica A 314, 462 (2002).

[35 Citations] K. Koga, R.D. Parra, H. Tanaka, and X.C. Zeng, " Ice nanotube: What does the unit cell look like?, " J. Chem. Phys. 113, 5037 (2000).

[33 Citations] X.C. Zeng, P.M. Hui and D. Stroud, " Numerical Study of Optical Absorption in Two Dimensional Metal-insulator and Normal-superconductor Composites," Phys. Rev. B 39, 1063 (1989).

[33 Citations] K. Koga and X.C. Zeng, "Thermodynamic Expansion of Nucleation Free-Energy Barrier and Size of Critical Nucleus around the Vapor-Liquid Coexistence State," J. Chem. Phys. 110, 3466 (1999).

[32 Citations] K.J. Oh and X.C. Zeng, " A small system ensemble Monte Carlo simulation of supersaturated vapor: Evaluation of barrier to nucleation, " J. Chem. Phys. 112, 294 (2000).

[32 Citations] G.T. Gao, X.C. Zeng, and W.C. Wang ``Vapor-liquid Coexistence of Quasi-two-dimensional Stockmayer Fluids'', J. Chem. Phys. 106, 3311 (1997).

[30 Citations] X.C. Zeng, D. Kivelson, and G. Tarjus, " Reexamination of the depolarized-light-scattering spectra of glass-forming liquids, " Phys. Rev. E 50, 1711-1716 (1994).

[27 Citations] K. Yasuoka, G.T. Gao, and X.C. Zeng, " Molecular Dynamics Simulation of Supersaturated Vapor Nucleation in Slit Pore, " J. Chem. Phys. 112, 4279 (2000).

Other Publications in Liquids/Interfaces/Nucleation/Phase Transition (1997-2008)

J. Wang and X.C. Zeng, (Review Article) "Computer Simulation of Liquid-Vapor Interfacial Tension: Lennard-Jones Fluid and Water Revisited," J. Theor. Comput. Chem. 8, 733-763 (2009).

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 I_h with the Perdew-Burke-Ernzerhof and Becke-Lee-Yang-Parr functionals," J. Chem. Phys. (Communication) 130, 221102 (2009).

P. Apte and X.C. Zeng, "Anisotropy of crystal-melt interfacial free energy of silicon by simulation," Appl. Phys. Lett. 92, 221903 (2008).

Y.A. Lei, T. Bykov, S. Yoo, and X.C. Zeng, "The Tolman Length: Is it Positive or Negative? " J. Am. Chem. Soc. 127, 15346-15347 (2005).

[7 Citations] L.G. Rosaa, J. Xiao, Y.B. Losovyj, Y. Gao, I.N. Yakovkin, X.C. Zeng, and P.A. Dowben, "Single crystal ice grown on the surface of the ferroelectric polymer poly(vinylidene fluoride) (70%) and trifluoroethylene (30%)," J. Am. Chem. Soc. 127, 17261-17265 (2005).

V.B. Warshavsky and X.C. Zeng, " Effect of an electric field on the surface tension of a dipolar-quadrupolar fluid and its implication for sign preference in droplet nucleation, " Phys. Rev. Lett. 89, 246104 (2002).

[22 Citations] K.J. Oh, G.T. Gao, and X.C. Zeng, " Nucleation of Water and Methanol Droplet on Cation and Anion: The Sign Preference, " Phys. Rev. Lett. 86, 5080 (2001).

S. Yoo, S.S. Xantheas, and X.C. Zeng, "The melting temperature of bulk silicon from ab initio molecular dynamics simulations," Chem. Phys. Lett. 481, 88-90 (2009).

Y. Pei, J. Ma, and X.C. Zeng, "Effects of Radical Site Location and Surface Doping on the Radical Chain-Reaction on the H-Si(100)-(2x1): A Density Functional Theory Study," J. Phys. Chem. C 112, 16078-16086 (2008).

Z. Li, X. Zhang, L. Zhang, X.C. Zeng, J. Hu, and H. Fang, "Analysis of the gas states at a liquid/solid interface based on interactioins at the microscopic level," J. Phys. Chem. B 111, 9325-9329 (2007).

J. Wang, Y.W. Tang, and X.C. Zeng, "Solid-Liquid Interfacial Free Energy of Water: A Molecular Dynamics Simulation Study," J. Chem. Theory Computation 3, 1494-1498 (2007).

K. Yasuoka and X.C. Zeng, "Molecular dynamics of homogeneous nucleation in the vapor phase of Lennard-Jones. III. Effect of carrier gas pressure," J. Chem. Phys. 126, 124320 (2007).

[21 Citations] X.H. Zhang, X. Zhang, J. Sun, Z. Zhang, G. Li, H. Fang, X. Xiao, X.C. Zeng, and J. Hu, "Detection of Novel States at the Highly Oriented Pyrolytic Graphite-Water Interface, " Langmuir 23, 1778-1783 (2007).

T.V. Bykov and X.C. Zeng, "Homogeneous nucleation at high supersaturation and heterogeneous nucleation on microscopic wettable particles: A hybrid thermodynamic/density-functional theory," J. Chem. Phys. 125, 144515 (2006).

D.J. Diestler, H. Zhou, R. Feng, and X.C. Zeng, "Hybrid atomistic-coarse-grained treatment of multiscale processes in heterogeneous materials: A self-consistent-field approach," J. Chem. Phys. 125, 064705 (2006).

Y.W. Tang, J. Wang, and X.C. Zeng, " Molecular simulations of solid-liquid interfacial tension of silicon," J. Chem. Phys. 124, 236103 (2006).

H. Zhou, R. Feng, D.J. Diestler, and X.C. Zeng, " Coarse-grained free-energy-functional treatment of quasistatic multi-scale processes in heterogeneous materials," J. Chem. Phys. 123, 164109 (2005).

Z.-B. Wu, D.J. Diestler, and X.C. Zeng, " Multiscale treatment of thin-film lubrication," Mol. Simulation 31, 811-815 (2005).

[20 Citations] J. Wang, S. Yoo, J. Bai, J.R. Morris, and X.C. Zeng, " Melting Temperature of Ice I_h calculated from coexisting solid-liquid phases, " J. Chem. Phys. 123, 036101 (2005).

D.J. Diestler, Z.-B. Wu, and X.C. Zeng, " An extension of the quasicontinuum treatment of multiscale solid systems to nonzero temperature, " J. Chem. Phys. 121, 9279 (2004).

Z.-B. Wu, D.J. Diestler, and X.C. Zeng, " Hybrid atomistic-coarse-grained treatment of thin-film lubrication. II, " J. Chem. Phys. 121, 8029 (2004).

Z.-B. Wu, D.J. Diestler, R. Feng, and X.C. Zeng, " Hybrid atomistic-coarse-grained treatment of thin-film lubrication. I, " J. Chem. Phys. 120, 6744 (2004).

[16 Citations] S. Yoo, X.C. Zeng, and J.R. Morris, " The melting lines of model silicon calculated from coexisting solid-liquid phases, " J. Chem. Phys 120, 1654 (2004).

V.B. Warshavsky and X.C. Zeng, " Effects of external electric field on the bulk and interfacial properties of weakly dipolar fluid in slab-shaped and sphere-shaped system, " Phys. Rev. E 68, 051203 (2003).

[9 Citations] Z.-B. Wu, D.J. Diestler, R. Feng, and X.C. Zeng, " Coarse-graining description of solid systems at nonzero temperature, " J. Chem. Phys. 119, 8013 (2003).

[16 Citations] S. Yoo, Y.A. Lei, and X.C. Zeng, " Effect of polarizability of halide anions on the ionic solvation in water clusters, " J. Chem. Phys. 119, 6083 (2003).

V.B. Warshavsky and X.C. Zeng, " Bulk and interfacial properties of dipolar-quadrupolar fluid in a unifrom electric field: A density-functional approach, " Phys. Rev. E 68, 011203 (2003).

S. Yoo and X.C. Zeng, " Monte Carlo simulation of vapor-liquid binodal of water " J. Chem. Phys. 117, 9518 (2002).

V.B. Warshavsky and X.C. Zeng, " Bulk and interfacial properties of quadrupolar fluids, " J. Chem. Phys. 117, 3982 (2002).

[10 Citations] T.V. Bykov and X.C. Zeng, " Heterogeneous nucleation on mesoscopic wettable particles: A hybrid thermodynamic/density-functional theory, " J. Chem. Phys. 117, 1851 (2002).

[8 Citations] T.V. Bykov and X.C. Zeng, " Statistical mechanics of surface tension and the Tolman length for dipolar fluid, " J. Phys. Chem. B 105, 11586 (2001).

[10 Citations] S. Yoo, K.J. Oh, and X.C. Zeng, " Monte Carlo simulation of vapor-liquid homogeneous binary nucleation: Mutual enhancement of nucleation in a partially miscible system, " J. Chem. Phys. 115, 8518 (2001).

K. T. Kholmurodov, K. Yasuoka, and X.C. Zeng, " Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model, " J. Chem. Phys. 114, 9578 (2001).

D.J. Diestler, G.T. Gao, and X.C. Zeng, " Role of hysteresis in the molecular picture of friction, " Phys. Chem. Chem. Phys. 3, 1175 (2001).

[8 Citations] K.J. Oh and X.C. Zeng, " Effect of carrier-gas pressure on barrier to nucleation: Monte Carlo simulation of water/nitrogen system, " J. Chem. Phys. 114, 2681 (2001).

V.B. Warshavsky, T.V. Bykov, and X.C. Zeng, " Effects of external electric field on the interfacial properties of weakly dipolar fluid, " J. Chem. Phys. 114, 504 (2001).

J. Slovak, and H. Tanaka, K. Koga, and X.C. Zeng, " Computer Simulation of Water-Ice Transition in Hydrophobic Nanopores, " Physica A 292, 87 (2001).

G.T. Gao, X.C. Zeng, and D.J. Diestler, " Nonlinear effects of physisorption on static friction, " J. Chem. Phys. 113, 11293 (2000).

R.D. Parra and X.C. Zeng, " Basis set effects on the intermolecular interaction of the CF4-CF4 system, " J. Mol. Struct. (Theochem) 503, 213 (2000).

G.T. Gao and X.C. Zeng, " Freezing transition of strongly dipolar fluid, " Phys. Rev. E61, R2188 (2000).

[20 Citations] R. Parra and X.C. Zeng, " Hydrogen bonding and cooperative effects in mixed dimers and trimers of methanol and trifluoromethanol. An ab initio study, " J. Chem. Phys. 110, 6329 (1999).

[21 Citations] G.T. Gao, K.J. Oh, and X.C. Zeng, " Effect of uniform electric field on homogeneous vapor-liquid nucleation and phase equilibria: II. SPC/E water, " J. Chem. Phys. 110, 2533 (1999).

[17 Citations] T. Bykov and X.C. Zeng, " A patching model for the surface tension and the Tolman length, " J. Chem. Phys. 111, 3705 (1999).

[15 Citations] J. Slovaka, K. Koga, H. Tanaka, and X.C. Zeng, " Confined Water in Hydrophobic Nanopores: Dynamics of Freezing into Bilayer Ice, " Phys. Rev. E60, 5833 (1999).

K. Kiyohara, K.J. Oh, X.C. Zeng, and K. Ohta, " The boundary condition in the Gibbs ensemble simulation of the Stockmayer fluids under an applied field, " Mol. Simulation v23, 95 (1999).

[10 Citations] T. Bykov and X.C. Zeng, " A patching model for surface tension of spherical droplet and Tolman length. II, " J. Chem. Phys. 111, 10602 (1999).

[14 Citations] R. Yamamoto and X.C. Zeng, "Molecular dynamics study of a phase-separating fluid mixture under shear flow, " Phys. Rev. E59, 3223 (1999).

K.J. Oh, G.T. Gao, and X.C. Zeng, "The effect of a uniform electric field on homogeneous vapor-liquid nucleation in a dipolar fluid: I. Stockmayer fluid, " J. Chem. Phys. 109, 8435 (1998).

K. Koga, X.C. Zeng and D.J. Diestler, "Statistical Thermodynamic Treatment of the AFM Tip in Liquid, " Proceedings of the NSF/AFOSR/ASME Workshop on Tribology Issues and Opportunities in MEMS, edited by B. Bhushan (Kluwer Academic, Dordrecht, 1998) p. 313-323.

[19 Citations] K. Koga, X.C. Zeng and H. Tanaka, " Effects of Confinement on the Phase Behavior of Supercooled Water, " Chem. Phys. Lett. 285, 278 (1998).

K.J. Oh and X.C. Zeng, " Contribution of the center of mass fluctuation of a liquid cluster to the free energy: A Monte Carlo simulation study, " J. Chem. Phys. 108, 4683 (1998).

D.J. Diestler, E. Rajasekaran, and X.C. Zeng, "Static Frictional Forces at Crystalline Interfaces," J. Phys. Chem. B 101, 4992 (1997).

[17 Citations] K.J. Oh, X.C. Zeng, and H. Reiss, " Toward a Molecular Theory of Vapor-phase Nucleation: V. Self-consistency in the Decoupled Dimer Limit, " J. Chem. Phys. 107, 1242 (1997).

K. Koga, X.C. Zeng, and H. Tanaka, "Solvent-Induced Interactions Between Hydrophobic and Hydrophilic Polyatomic Sheets in Water and Non-polar Solvent," J. Chem. Phys. , 106, 9781 (1997).

[9 Citations] G.T. Gao, J.B. Woller, X.C. Zeng, and W. Wang, "Vapor-liquid equilibria of binary mixtures containing dipolar molecules," J. Phys: Condens. Matter 9, 3349 (1997).

[11 Citations] M. Gibson, D. Swanson, C. Eckhardt, and X.C. Zeng, "Monte Carlo Simulation of the Solid to Super Liquid Phase Transition of Langmuir Monolayers II: Characteristics of Phase Transition," J. Chem. Phys. 106, 1961 (1997).

Gao, G.T., Woller, J.B., Zeng, X.C., and Wang, W., "Solute-Solvent Size Ratio Dependence of the Solute Residual Chemical Potential in Subcritical Solvents," Mol. Phys. 90, 141 (1997).

[19 Citations] H. Tanaka, J.W. Shen, K. Nakanishi, and X.C. Zeng, " Integral-equation and Monte-Carlo simulation studies of clusters in infinitely dilute supercritical solutions, " Chem. Phys. Lett. 239, 168-172 (1995).

[16 Citations] X.C. Zeng and D.W. Oxtoby, " Mapping of a solid into an effective liquid, " Phys. Rev. A 41, 7094-7096 (1990).

[23 Citations] X.C. Zeng, P.M. Hui, D.J. Bergman and D. Stroud, " Correlation and Clustering in the Optical Properties of Composites: A Numerical Study," Phys. Rev. B 39, 13224 (1989).

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