skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Nano-Octahedra of MoS2: Global Topological Constraints on Bonding and Stoichemistry


No abstract prepared.

; ; ; ; ; ;
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
OSTI Identifier:
DOE Contract Number:
Resource Type:
Resource Relation:
Conference: Meeting Abstracts: 209th Meeting of The Electrochemical Society (ECS), 7-11 May 2006, Denver, Colorado; MA 2006-01
Country of Publication:
United States

Citation Formats

Parilla, P. A., Dillon, A. C., Parkinson, B. A., Jones, K. M., Alleman, J., Ginley, D. S., and Heben, M. J. Nano-Octahedra of MoS2: Global Topological Constraints on Bonding and Stoichemistry. United States: N. p., 2006. Web.
Parilla, P. A., Dillon, A. C., Parkinson, B. A., Jones, K. M., Alleman, J., Ginley, D. S., & Heben, M. J. Nano-Octahedra of MoS2: Global Topological Constraints on Bonding and Stoichemistry. United States.
Parilla, P. A., Dillon, A. C., Parkinson, B. A., Jones, K. M., Alleman, J., Ginley, D. S., and Heben, M. J. Sun . "Nano-Octahedra of MoS2: Global Topological Constraints on Bonding and Stoichemistry". United States. doi:.
title = {Nano-Octahedra of MoS2: Global Topological Constraints on Bonding and Stoichemistry},
author = {Parilla, P. A. and Dillon, A. C. and Parkinson, B. A. and Jones, K. M. and Alleman, J. and Ginley, D. S. and Heben, M. J.},
abstractNote = {No abstract prepared.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2006},
month = {Sun Jan 01 00:00:00 EST 2006}

Other availability
Please see Document Availability for additional information on obtaining the full-text document. Library patrons may search WorldCat to identify libraries that hold this conference proceeding.

Save / Share:
  • Abstract not provided.
  • This paper identifies different length scales, {lambda}{sub s}, for strain-reducing chemical bonding self-organizations in non-crystalline and nano-crystalline thin films. Length scales have been identified through spectroscopic studies, thermal heat flow measurements, and are analyzed by semi-empirical bond-constraint theory (SE-BCT) and symmetry adapted linear combinations (SALC) of atomic states. In both instances, strain-reducing self-organizations result in reduced defect densities that are minimized and enabling for device applications. The length scale for non-crystalline solids extends to at most 1 nm, and more generally to 0.5-0.8 nm; however, there are two different length scales for nano-crystalline films: one is <2.5 nm and ismore » characterized by suppression of longer range ordering required for complex unit cells based on more than one primitive unit cell and the second is >3-3.5 nm and defines a regime where complex unit cells, comprised of two or more primitive unit cells are stabilized and the electronic structure is changed.« less
  • This book presents information on the following topics: measurement of gravity and gauge fields using quantum mechanical probes; gravitation at spatial infinity; field theories on supermanifolds; supergravities and Kaluza-Klein theories; boundary conditions at spatial infinity; singularities - global and local aspects; matter at the horizon of the Schwarzschild black hole; introluction to string theories; cosmic censorship and the strengths of singularities; conformal quantisation in singular spacetimes; solar system tests in transition; integration and global aspects of supermanifolds; the space-time of the bimetric general relativity theory; gravitation without Lorentz invariance; a uniform static magnetic field in Kaluza-Klein theory; introduction to topologicalmore » geons; and a simple model of a non-asymptotically flat Schwarzschild black hole.« less
  • There is a tremendous need for alternative energies (and technologies for their harnessing) especially in the developing countries with a dependence on expensive and depleting oil reserves even higher than in the industrialized world. However, to use these potentials - basically solar energy in direct and indirect form - means to cope with a complexity of implications specifically inherent to the developing world, which has become visible in the author's comprehensive and global analysis, covering 271 projects in Africa, Asia, and Latin America. Not only that these implications are mostly not adequately understood in the Northern hemisphere (where developing aidmore » projects are elaborated), these implications are turning out as severe constraints which can be categorized as follows (the numbering refers to the ranking of relevance.« less
  • An oil or gas field may comprise a number of isolated reservoir units, each of which may have been studied separately with their own simulation models. If these reservoirs are to be linked to common surface facilities, they are effectively coupled by global production constraints. Their production and injection streams must be combined to obey these constraints. Two approaches are commonly applied to this problem: either amalgamating the simulation models into a single model of whole field, or using production planning methods on pre-constructed production profiles of the individual reservoirs. This paper introduces a third approach to the problem, whichmore » the authors call Reservoir Coupling. The individual simulation models are still run as separate processes, with minimal change to their data. But they are coupled to a master process which handles the global production and injection constraints and determines the flow rate targets to be applied to the individual reservoirs at each time step. Inter-process communication is handled by the PVM message passing system. This can spawn processes over a network of heterogeneous Unix computers, enabling the individual simulation models to be run in parallel on separate workstations. The paper describes the Reservoir Coupling algorithm that has been implemented in a commercial black oil simulator, and discusses the advantages and disadvantages of the technique in comparison with the other two approaches. A simulation study is described which illustrates the application of Reservoir Coupling to three isolated reservoirs subject to global production and injection constraints.« less