New Route for Stabilization of 1T-WS2 and MoS2 Phases

The phenomenon of a partial 2H→1T phase transition within multiwalled WS2 nanotubes under substitutional rhenium doping is discovered by means of high-resolution transmission electron microscopy. Using density-functional tight-binding calculations for the related MoS2 compound, we consider a possible origin of this phase transition, which was known formerly only for WS2 and MoS2 intercalated by alkali metals. An interplay between the stability of layered or nanotubular forms of 2H and 1T allotropes is found to be intimately related with their electronic structures and electro-donating ability of an impurity.

[1]  Seifert,et al.  Structure and electronic properties of MoS2 nanotubes , 2000, Physical review letters.

[2]  M. Kanatzidis,et al.  Structure of Restacked MoS2 and WS2 Elucidated by Electron Crystallography , 1999 .

[3]  J. Wilcoxon,et al.  Catalytic Properties of Single Layers of Transition Metal Sulfide Catalytic Materials , 2005 .

[4]  Serguei Patchkovskii,et al.  An Efficient a Posteriori Treatment for Dispersion Interaction in Density-Functional-Based Tight Binding. , 2005, Journal of chemical theory and computation.

[5]  M. Lentzen Progress in Aberration-Corrected High-Resolution Transmission Electron Microscopy Using Hardware Aberration Correction , 2006, Microscopy and Microanalysis.

[6]  Y. Prior,et al.  Synthesis of NiCl2 nanotubes and fullerene-like structures by laser ablation: theoretical considerations and comparison with MoS2 nanotubes , 2003 .

[7]  G. Seifert,et al.  Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme , 1996 .

[8]  Yang,et al.  Structure of single-molecular-layer MoS2. , 1991, Physical review. B, Condensed matter.

[9]  G. Seifert,et al.  Nanoseashells and Nanooctahedra of MoS2: Routes to Inorganic Fullerenes , 2009 .

[10]  Clausen,et al.  Atomic-scale structure of single-layer MoS2 nanoclusters , 2000, Physical review letters.

[11]  R. R. Haering,et al.  Structural destabilization induced by lithium intercalation in MoS2 and related compounds , 1983 .

[12]  M. Kanatzidis,et al.  Exfoliated-Restacked Phase of WS2 , 1997 .

[13]  A. Mazur,et al.  Band structure of MoS 2 , MoSe 2 , and α − MoTe 2 : Angle-resolved photoelectron spectroscopy and ab initio calculations , 2001 .

[14]  R. Prins,et al.  Scanning Tunneling Microscopic Investigation of 1T-MoS2 , 1998 .

[15]  F. Wypych,et al.  1T-MoS2, a new metallic modification of molybdenum disulfide , 1992 .

[16]  E. Fluck,et al.  Gmelin handbook of inorganic and organometallic chemistry , 1975 .

[17]  R. Tenne,et al.  Recent progress in the research of inorganic fullerene-like nanoparticles and inorganic nanotubes. , 2010, Chemical Society reviews.

[18]  K. Urban,et al.  Spherical Aberration Correction in Tandem with Exit-Plane Wave Function Reconstruction: Interlocking Tools for the Atomic Scale Imaging of Lattice Defects in GaAs , 2004, Microscopy and Microanalysis.

[19]  G. Seifert,et al.  Nanolubrication: How Do MoS2-Based Nanostructures Lubricate? , 2008 .

[20]  E. D. Crozier,et al.  Structures of exfoliated single layers of WS 2 , MoS 2 , and MoSe 2 in aqueous suspension , 2002 .

[21]  R. Frindt,et al.  Li-intercalation and exfoliation of WS2 , 1996 .

[22]  C. Jia,et al.  Atomic-Resolution Measurement of Oxygen Concentration in Oxide Materials , 2004, Science.

[23]  R. Tenne,et al.  Fullerene-like Mo(W)(1-x)Re(x)S2 nanoparticles. , 2008, Chemistry, an Asian journal.

[24]  Andreas Klein,et al.  Electronic band structure of single-crystal and single-layer WS 2 : Influence of interlayer van der Waals interactions , 2001 .

[25]  F. Besenbacher,et al.  Size-dependent structure of MoS2 nanocrystals. , 2007, Nature nanotechnology.

[26]  N. Imanishi,et al.  Study on lithium intercalation into MoS2 , 1992 .

[27]  R. Prins,et al.  Ab initio study of MoS2 and Li adsorbed on the face of MoS2 , 2000 .

[28]  R. Prins,et al.  Electron diffraction study of intercalation compounds derived from 1T-MoS2 , 1999 .

[29]  F. Besenbacher,et al.  Cluster-support interactions and morphology of MoS2 nanoclusters in a graphite-supported hydrotreating model catalyst. , 2006, Journal of the American Chemical Society.

[30]  R. Tenne,et al.  Inorganic Nanotubes and Fullerene-Like Structures (IF) , 2007 .

[31]  Sibylle Gemming,et al.  Structure and stability of molybdenum sulfide fullerenes. , 2007, Angewandte Chemie.