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Title: Final Report: "Energetics of Nanomaterials

Nanomaterials, solids with very small particle size, form the basis of new technologies that are revolutionizing fields such as energy, lighting, electronics, medical diagnostics, and drug delivery. These nanoparticles are different from conventional bulk materials in many ways we do not yet fully understand. This project focused on their structure and thermodynamics and emphasized the role of water in nanoparticle surfaces. Using a unique and synergistic combination of high-tech techniques—namely oxide melt solution calorimetry, cryogenic heat capacity measurements, and inelastic neutron scattering—this work has identified differences in structure, thermodynamic stability, and water behavior on nanoparticles as a function of composition and particle size. The systematics obtained increase the fundamental understanding needed to synthesize, retain, and apply these technologically important nanomaterials and to predict and tailor new materials for enhanced functionality, eventually leading to a more sustainable way of life. Highlights are reported on the following topics: surface energies, thermochemistry of nanoparticles, and changes in stability at the nanoscale; heat capacity models and the gapped phonon spectrum; control of pore structure, acid sites, and thermal stability in synthetic γ-aluminas; the lattice contribution is the same for bulk and nanomaterials; and inelastic neutron scattering studies of water on nanoparticle surfaces.
Authors:
 [1] ;  [2] ;  [3]
  1. Univ. of California, Davis, CA (United States)
  2. Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
  3. Brigham Young Univ., Provo, UT (United States)
Publication Date:
OSTI Identifier:
1312658
Report Number(s):
DOE-VT--15658
TRN: US1700261
DOE Contract Number:
FG02-05ER15658
Resource Type:
Technical Report
Resource Relation:
Related Information: B. Huang, J. Schliesser, R.E. Olsen, S.J. Smith, and B.F. Woodfield,"Synthesis and Thermodynamics of Porous Metal OxideNanomaterials", Curr. Inorg. Chem. 4, 4053(2014) M.K. Mardkhe,B.F. Woodfield, C.H. Bartholomew, and B. Huang, "A Method ofMaking Highly Porous, Stable Aluminum Oxides Doped with Silicon",U.S. (2014) R.E. Olsen, J.S. Lawson, N. Rohbock, and B.F. Woodfield,"Practical Comparison of Traditional and Definitive Screening Designsin Chemical Process Development", International Journal ofExperimental Design and Process Optimisation, In Press (2016). N.Liu, X. Guo, A. Navrotsky, L. Shi, and D. Wu, “ThermodynamicComplexity of Sulfated Zirconia Catalysts” J. Catal., In Press (2016).B.F. Woodfield, S. Liu, J. BoerioGoates,and Q. Liu, "Preparation ofUniform Nanoparticles of UltraHighPurity Metal Oxides, MixedMetal Oxides, Metals, and Metal Alloys", U.S. 8,211,388 (2012) B.F.Woodfield, C.H. Bartholomew, K. Brunner, W. Hecker, X. Ma, F. Xu,and L. Astle, "Iron and Cobalt Based FisherTropschPreCatalystsandCatalysts", U.S. 9,114,378 (2015) B.F. Woodfield, S.J. Smith, D.A. Selk,C.H. Bartholomew, X. Ma, F. Xu, R.E. Olsen, and L. Astle, "SingleReaction Synthesis of Texturized Catalysts", U.S. 9,079,164 (2015)C.H. Bartholomew, B.F. Woodfield, B. Huang, B. Olsen, and L. Astle,"A Method for Making Highly Porous, Stable Metal Oxides withControlled Pore Structure", U.S. 9,334,173 (2016) M.K. Mardkhe, BB.F.Woodfield, C.H. Bartholomew, and B. Huang, "A Method of MakingHighly Porous, Stable Aluminum Oxides Doped with Silicon", U.S.Allowed (2016)
Research Org:
Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; NANOMATERIALS; NANOPARTICLES; NEUTRON REACTIONS; NEUTRON DIFFRACTION; PARTICLE SIZE; SOLUTIONS; SPECIFIC HEAT; WATER; INELASTIC SCATTERING; HEAT; CALORIMETRY; STABILITY; SURFACES; THERMODYNAMICS; SURFACE ENERGY; THERMOCHEMICAL PROCESSES; PHONONS; SPECTRA; PORE STRUCTURE; ALUMINIUM OXIDES; TITANIUM OXIDES Confinement; Guest-Host Interactions; Energy Hydration