Structures – Structural Evolution

 

Probing the Structural Evolution of Medium-Sized Gold Clusters: Aun− (n = 27 to 35)

  1. Shao, W. Huang, Y. Gao, L. M. Wang, X. Li,L. S. Wang, and X. C. Zeng J. Am. Chem. Soc.132, 6596-6605 (2010).  323.pdf

 

 

 

 

 

 

Relativistic Effects and the Unique Low-Symmetry Structures of Gold Nanoclusters

  1. Huang, M. Ji, C. D. Dong, X. Gu, L. M. Wang, X. G. Gong, andL. S. Wang ACS Nano 2, 897-904 (2008).  279.pdf

 

 

 

 

Structural Transition from Pyramidal to Space-Filling Amorphous in Medium-Sized Gold Clusters: Aun− (n = 21−26)

  1. Bulusu, X. Li, L. S. Wang, and X. C. Zeng J. Phys. Chem. C111, 4190-4198 (2007).  256.pdf

 

 

 

Structural Transition of Gold Nanoclusters: From the Golden Cage to the Golden Pyramid

  1. Huang, S. Bulusu, R. Pal, X. C. Zeng, andL. S. Wang ACS Nano 3, 1225-1230 (2009).  302.pdf

 

 

 

 

Probing the 2D to 3D Structural Transition in Gold Cluster Anions Using Argon Tagging

  1. Huang andL. S. Wang

Phys. Rev. Lett. 102, 153401-1-4 (2009).  299.pdf

 

 

 

 

On the Electronic and Atomic Structures of Small AuN– (N = 4−14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study

  1. Häkkinen, B. Yoon, U. Landman, X. Li, H. J. Zhai, andL. S. Wang   J. Phys. Chem.A107, 6168-6175 (2003).  164.pdf

 

 

 

 

 

Observation of Earlier Two to Three Dimensional Structural Transition in Gold Cluster Anions by Isoelectronic Substitution: MAun– (n = 8–11; M = Ag, Cu)

  1. M. Wang, R. Pal, W. Huang, X. C. Zeng, andL. S. Wang   J. Chem. Phys.132, 114306-1-8 (2010).  319.pdf

 

 

 

 

Isomer Identification and Resolution in Small Gold Clusters

  1. Huang, R. Pal, L. M. Wang, X. C. Zeng, andL. S. Wang   J. Chem. Phys.132, 054305-1-5 (2010).  317.pdf

 

 

 

 

Structural Evolution of Doped Gold Clusters: MAux– (M = Si, Ge, Sn; x = 5–8)

  1. Pal, L. M. Wang, W. Huang,L. S. Wang, and X. C. Zeng J. Am. Chem. Soc.131, 3396-3404 (2009).  296.pdf

 

 

 

 

Vibrationally-Resolved Photoelectron Spectroscopy of Di-Gold Carbonyl Clusters Au2(CO)n– (n = 1–3): Experiment and Theory

  1. L. Wang, H. J. Zhai L. Xu, J. Li, andL. S. Wang    J. Phys. Chem. A114, 1247-1254 (2010)

 

 

 

 

On the Chemical Bonding of Gold in Auro-Boron Oxide Clusters AunBO– (n = 1−3)

  1. Y. Zubarev, A. I. Boldyrev, J. Li, H. J. Zhai, andL. S. Wang   J. Phys. Chem. A111, 1648-1658 (2007).  254.pdf

 

 

 

 

A Photoelectron Spectroscopic and Computational Study of Sodium Auride Clusters, NanAun– (n = 1–3)

  1. F. Cui, Y. C. Lin, D. Sundholm, andL. S. Wang   J. Chys. Chem.A111, 7555-7561 (2007).  264.pdf

 

 

 

 

Gold as Hydrogen.  An Experimental and Theoretical Study of the Structures and Bonding in Di-Silicon Gold Clusters Si2Aun– and Si2Aun (n = 2 and 4) and Comparisons to Si2H2 and Si2H4

  1. Li, B. Kiran, andL. S. Wang   J. Chys. Chem. A109, 4366-4374 (2005).  201.pdf

 

 

 

 

Chemisorption-Induced Structural Changes and Transition from Chemisorption to Physisorption in Au6(CO)n− (n = 4−9)

  1. J. Zhai, L. L. Pan, B. Dai, B. Kiran, J. Li, andL. S. Wang   J. Chys. Chem. C112, 11920-11928 (2008).  286.pdf

 

 

 

 

Boronyls as Key Structural Units in Boron Oxide Clusters: B(BO)2− and B(BO)3−

  1. J. Zhai, S. D. Li, andL. S. Wang  J. Am. Chem. Soc.129, 9254-9255 (2007).  263.pdf

 

 

 

 

On the Electronic and Structural Properties of Tri-Niobium Oxide Clusters Nb3On− (n = 3-8): Photoelectron Spectroscopy and Density Functional Calculations

  1. J. Chen, H. J. Zhai, Y. F. Zhang, X. Huang, andL. S. Wang  J. Phys. Chem. A114, 5958-5966 (2010).  324.pdf

 

 

 

 

Structural and Electronic Properties of Reduced Transition Metal Oxide Clusters, M3O8 and M3O8− (M = Cr, W), from Photoelectron Spectroscopy and Quantum Chemical Calculations

  1. G. Li, H. J. Zhai,L. S. Wang, and D. A. Dixon  J. Phys. Chem. A113, 11273-11288 (2009).  310.pdf

 

 

 

 

Structural Evolution, Sequential Oxidation, and Chemical Bonding in Tri-Tantalum Oxide Clusters: Ta3On− and Ta3On (n = 1-8)

  1. J. Zhai, B. Wang, X. Huang,andL. S. Wang  J. Chys. Chem. A.113, 9804-9813 (2009).  308.pdf

 

 

 

 

Probing the Electronic and Structural Properties of the Niobium Trimer Cluster and its Mono- and Di-oxides: Nb3On− and Nb3On (n = 0-2)

  1. J. Zhai, B. Wang, X. Huang, andL. S. Wang   J. Phys. Chem. A113, 3866-3875 (2009).  300.pdf

 

 

 

 

Probing the Electronic and Structural Properties of Chromium Oxide Clusters (CrO3)n− and (CrO3)n (n = 1−5): Photoelectron Spectroscopy and Density Functional Calculations

  1. J. Zhai, S. G. Li, D. A. Dixon, andL. S. Wang   J. Am. Chem. Soc.130, 5167-5177 (2008).  278.pdf

 

 

 

 

Probing the Electronic Structure and Band Gap Evolution of Titanium Oxide Clusters (TiO2)n− (n = 1-10) Using Photoelectron Spectroscopy

  1. J. Zhai andL. S. Wang   J. Am. Chem. Soc.129, 3022-3026 (2007).  255.pdf

 

 

 

 

On the Structure and Chemical Bonding of Tri-Tungsten Oxide Clusters W3On− and W3On (n = 7−10): W3O8 As A Molecular Model for O-Deficient Defect Sites in Tungsten Oxides

  1. Huang, H. J. Zhai, J. Li, andL. S. Wang   J. Phys. Chem. A110, 85-92 (2006).  220.pdf

 

 

 

 

Electronic and Structural Evolution and Chemical Bonding in Ditungsten Oxide Clusters: W2On− and W2On (n = 1-6)

  1. J. Zhai, X. Huang, L. F. Cui, X. Li, J. Li, andL. S. Wang   J. Phys. Chem. A109, 6019-6030 (2005).  205.pdf

 

 

 

 

Electronic Structure and Chemical Bonding in MOn– and MOn Clusters (M = Mo, W; n = 3-5): A Photoelectron Spectroscopy and ab Initio Study

  1. J. Zhai, B. Kiran, L. F. Cui, X Li, D. A. Dixon, andL. S. Wang   J. Am. Chem. Soc.126, 16134-16141 (2004).  192.pdf

 

 

 

 

In Search of Covalently-Bound Tetra- and Penta-Oxygen Species: A Photoelectron Spectroscopic and Ab Initio Investigation of MO4– and MO5– (M = Li, Na, K, Cs)

  1. J. Zhai, X. Yang, X. B. Wang,L. S. Wang, B. Elliott, and A. I. Boldyrev  J. Am. Chem. Soc.124, 6742-6750 (2002).  138.pdf

 

 

 

 

Electronic Structure and Chemical Bonding of Divanadium Oxide Clusters (V2Ox, x = 3−7) from Anion Photoelectron Spectroscopy

  1. J. Zhai andL. S. Wang  J. Chem. Phys.117, 7882-7888 (2002).  144.pdf

 

 

 

 

(MgO)n– (n = 1−5) Clusters: Multipole-Bound Anions and Photodetachment Spectroscopy

  1. Gutowski, P. Skurski, X. Li, andL. S. Wang  Phys. Rev. Lett. 85, 3145-3148 (2000).  111.pdf

 

 

 

 

 

Structural and Electronic Properties of Iron Monoxide Clusters FenO and FenO– (n = 2–6): A Combined Photoelectron Spectroscopy and Density Functional Theory Study

  1. L. Gutsev, C. W. Bauschlicher, Jr., H. J. Zhai, andL. S. Wang   J. Chem. Phys.119, 11135-11145 (2003).  167.pdf

 

 

 

 

Observation and Photoelectron Spectroscopic Study of Novel Mono- and Di-iron Oxide Molecules: FeOy– (y = 1-4) and Fe2Oy– (y = 1−5)

  1. Wu, S. R. Desai, andL. S. Wang   J. Am. Chem. Soc.118, 5296-5301 (1996).  39.pdf

 

 

 

 

Sequential Oxygen Atom Chemisorption on Surfaces of Small Iron Clusters

  1. S. Wang, H. Wu and S. R. Desai  Phys. Rev. Lett. 76, 4853-4856 (1996).  41.pdf

 

 

 

 

 

Planar-to-Tubular Structural Transition in Boron Clusters: B20 as the Embryo of Single-Walled Boron Nanotubes

  1. Kiran, S. Bulusu, H. J. Zhai, S. Yoo, X. C. Zeng, andL. S. Wang

Proc. Natl. Acad. Sci. (USA) 102, 961-964 (2005).  193.pdf

 

 

 

 

 

Structural Evolution of Silicon Nanoclusters SiN (20 ≤ N ≤ 45)

  1. Bai, L. F. Cui,J. Wang,S. Yoo, X. Li, J. Jellinek, C. Koehler, T. Frauenheim, L. S. Wang, and X. C. Zeng  J. Phys. Chem. A110, 908-912 (2006).  222.pdf

 

 

 

 

Si3Ox (x = 1−6): Models for Oxidation of Silicon Surfaces and Defect Sites in Bulk Oxide Materials

  1. S. Wang, J. B. Nicholas, M. Dupuis, H. Wu, and S. D. Colson

Phys. Rev. Lett. 78, 4450-4453 (1997).  51.pdf

 

 

 

 

 

Photoelectron Spectra of Aluminum Cluster Anions: Temperature Effects and Ab Initio Simulations

  1. Akola, M. Manninen, H. Hakkinen, U. Landman, X. Li, andL. S. Wang

Phys. Rev. B 60, R11297-R11300 (1999).  83.pdf

 

 

 

 

 

Aluminum Cluster Anions: Photoelectron Spectroscopy and Ab-Initio Simulations

  1. Akola, M. Manninen, H. Hakkinen, U. Landman, X. Li, andL. S. Wang

Phys. Rev. B 62, 13216-13228 (2000).  112.pdf

 

 

 

 

 

Observation of Triatomic Species with Conflicting Aromaticity: AlSi2– and AlGe2–

  1. Y. Zubarev, X. Li,L. S. Wang, and A. I. Boldyrev  J. Phys. Chem. B110, 9743-9746 (2006).  231.pdf

 

 

 

 

Structure of the NaxClx+1– (x = 1−4) Clusters via Ab Initio Genetic Algorithm and Photoelectron Spectroscopy

  1. N. Alexandrova, A. I. Boldyrev, Y. J. Fu, X. Yang, X. B. Wang, andL. S. Wang  J. Chem. Phys.121, 5709-5719.  184.pdf

 

 

 

 

Experimental and Computational Studies of Alkali-Metal Coinage-Metal Clusters

  1. C. Lin, D. Sundholm, J. Juselius, L. F. Cui, X. Li, H. J. Zhai, andL. S. Wang  J.Phys. Chem. A110, 4244-4250 (2006).  226.pdf

 

 

 

 

Electronic and Structural Evolution of Mono-Iron Sulfur Clusters, FeSn– and FeSn (n = 1−6), From Anion Photoelectron Spectroscopy

  1. J. Zhai, B. Kiran, andL. S. Wang   J. Phys. Chem.A107, 2821-2828 (2003).  156.pdf

 

 

 

 

Structural and Electronic Properties of Small Titanium Clusters: An Anion Photoelectron Spectroscopy and Density Functional Study

  1. Castro, S. Liu, H. J. Zhai, andL. S. Wang  J. Chem. Phys.118, 2116-2123 (2003).  151.pdf

 

 

 

 

Vibrationally Resolved Photoelectron Spectra of TiCx– (x = 2−5) Clusters

  1. B. Wang, C. F. Ding, andL. S. Wang  J. Phys. Chem. A101, 7699-7701 (1997).  54.pdf

 

 

 

 

Growth Pathways of Metallocarbohedrenes: Cage-like or Cubic?

  1. S. Wangand H. Cheng

Phys. Rev. Lett. 78, 2983-2986 (1997).  50.pdf

 

 

 

 

 

Photoelectron Spectroscopy of Chromium Clusters: Observation of Even-Odd Alternations and Theoretical Interpretation

  1. S. Wang, H. Wu, and H. Cheng

Phys. Rev. B 55, 12884-12887 (1997).  49.pdf

 

 

 

 

Dimer Growth, Structure Transition and Antiferromagnetic Ordering in Small Cr Clusters

  1. S. Cheng andL. S. Wang

Phys. Rev. Lett. 77, 51-54 (1996).  10.pdf