97 research outputs found
Solution-Phase Synthesis of Heteroatom-Substituted Carbon Scaffolds for Hydrogen Storage
This paper reports a bottom-up solution-phase process for the preparation of pristine and heteroatom (boron, phosphorus, or nitrogen)-substituted carbon scaffolds that show good surface areas and enhanced hydrogen adsorption capacities and binding energies. The synthesis method involves heating chlorine-containing small organic molecules with metallic sodium at reflux in high-boiling solvents. For heteroatom incorporation, heteroatomic electrophiles are added to the reaction mixture. Under the reaction conditions, micrometer-sized graphitic sheets assembled by 3−5 nm-sized domains of graphene nanoflakes are formed, and when they are heteroatom-substituted, the heteroatoms are uniformly distributed. The substituted carbon scaffolds enriched with heteroatoms (boron ~7.3%, phosphorus ~8.1%, and nitrogen ~28.1%) had surface areas as high as 900 m^2 g^(−1) and enhanced reversible hydrogen physisorption capacities relative to pristine carbon scaffolds or common carbonaceous materials. In addition, the binding energies of the substituted carbon scaffolds, as measured by adsorption isotherms, were 8.6, 8.3, and 5.6 kJ mol^(−1) for the boron-, phosphorus-, and nitrogen-enriched carbon scaffolds, respectively
Spontaneous formation and stability of small GaP fullerenes
We report the spontaneous formation of a GaP fullerene cage in ab-initio
Molecular Dynamics simulations starting from a bulk fragment. A systematic
study of the geometric and electronic properties of neutral and ionized GaP
clusters suggests the stability of hetero-fullerenes formed by a compound with
zincblend bulk structure. We find that GaP fullerenes up to 28 atoms have high
symmetry, closed electronic shells, large HOMO-LUMO energy gaps and do not
dissociate when ionized. We compare our results for GaP with those obtained by
other groups for the corresponding BN clusters.Comment: To appear on PRL, 4 pages, 1 figure, Late
NbSe3: Effect of Uniaxial Stress on the Threshold Field and Fermiology
We have measured the effect of uniaxial stress on the threshold field ET for
the motion of the upper CDW in NbSe3. ET exhibits a critical behavior, ET ~ (1
- e/ec)^g, wher e is the strain, and ec is about 2.6% and g ~ 1.2. This
ecpression remains valid over more than two decades of ET, up to the highest
fields of about 1.5keV/m. Neither g nor ec is very sensitive to the impurity
concentraction. The CDW transition temperature Tp decreases linearly with e at
a rate dTp/de = -10K/%, and it does not show any anomaly near ec. Shubnikov
de-Haas measurements show that the extremal area of the Fermi surface decreases
with increasing strain. The results suggest that there is an intimate
relationship between pinning of the upper CDW and the Fermiology of NbSe3.Comment: 4 pages, 5 figure
Solar thermoelectricity Via Advanced Latent Heat Storage
An aspect of the present disclosure is a system that includes a thermal valve having a first position and a second position, a heat transfer fluid, and an energy converter where, when in the first position, the thermal valve prevents the transfer of heat from the heat transfer fluid to the energy converter, and when in the second position, the thermal valve allows the transfer of heat from the heat transfer fluid to the energy converter, such that at least a portion of the heat transferred is converted to electricity by the energy converter
Recommended from our members
DOE Carbon-based Hydrogen Storage Center of Excellence: Center Highlights and NREL Activities
Presented at the 2006 DOE Hydrogen, Fuel Cells & Infrastructure Technologies Program Annual Merit Review in Washington, D.C., May 16-19, 2006
Outlook and challenges for hydrogen storage in nanoporous materials
Considerable progress has been made recently in the use of nanoporous materials for hydrogen storage. In this article, the current status of the field and future challenges are discussed, ranging from important open fundamental questions, such as the density and volume of the adsorbed phase and its relationship to overall storage capacity, to the development of new functional materials and complete storage system design. With regard to fundamentals, the use of neutron scattering to study adsorbed H2, suitable adsorption isotherm equations, and the accurate computational modelling and simulation of H2 adsorption are discussed. The new materials covered include flexible metal-organic frameworks, core-shell materials, and porous organic cage compounds. The article concludes with a discussion of the experimental investigation of real adsorptive hydrogen storage tanks, the improvement in the thermal conductivity of storage beds, and new storage system concepts and designs.Scopu
Recommended from our members
NREL Research as Part of the Hydrogen Sorption Center of Excellence
Solution-Phase Synthesis of Heteroatom-Substituted Carbon Scaffolds for Hydrogen Storage
Fundamentals of hydrogen storage in nanoporous materials
Physisorption of hydrogen in nanoporous materials offers an efficient and competitive alternative for hydrogen storage. At low temperatures (e.g. 77 K) and moderate pressures (below 100 bar) molecular H2 adsorbs reversibly, with very fast kinetics, at high density on the inner surfaces of materials such as zeolites, activated carbons and metal–organic frameworks (MOFs). This review, by experts of Task 40 ‘Energy Storage and Conversion based on Hydrogen’ of the Hydrogen Technology Collaboration Programme of the International Energy Agency, covers the fundamentals of H2 adsorption in nanoporous materials and assessment of their storage performance. The discussion includes recent work on H2 adsorption at both low temperature and high pressure, new findings on the assessment of the hydrogen storage performance of materials, the correlation of volumetric and gravimetric H2 storage capacities, usable capacity, and optimum operating temperature. The application of neutron scattering as an ideal tool for characterising H2 adsorption is summarised and state-of-the-art computational methods, such as machine learning, are considered for the discovery of new MOFs for H2 storage applications, as well as the modelling of flexible porous networks for optimised H2 delivery. The discussion focuses moreover on additional important issues, such as sustainable materials synthesis and improved reproducibility of experimental H2 adsorption isotherm data by interlaboratory exercises and reference materials
Closed-cage clusters in the gaseous and condensed phases derived from sonochemically synthesized MoS2 nanoflakes
- …