The Accidental Cathedral : thoughts on rebuilding the energy system

Industrial Ecolog

Optical-phonon-mediated charge transport in substituted morpholinium TCNQ2 salts

Substituted morphollnium TCNQ2 compounds exhibit some universal features with respect to the field, frequency and temperature dependence of the conductivity. These characteristics are different from the closely related morphollnlum TCNQI compounds. We show that a natural way to account for these phenomena comes about by careful examination of the order parameter space, i.e. the space created by the two different order parameters which together determine the gap at the Fermi surface: (i) the regular Pelerls dimerization of the acceptor-acceptor overlap and (li) a coherent shift of the donor ~olecules with respect to the accep$ors. By describing small revolutions through parameter space (realized by phase coupling of two different phonons producing the above mentioned gap) the ground state electron gas is shifted with respect to the lattice, thereby producing a current. The model allows for a qualitative description of conductivityrelated phenomena in these systems

Theory of Broensted acidity in zeolites

The nature of the chem. bond of protons in a zeolite is analyzed from theor. and spectroscopic results. Of interest is the dependence on zeolite structure as well as compn. The zeolitic OH bond is mainly covalent. Proton attachment to the zeolite lattice causes a weakening of neighboring Si-O and Al-O bonds. The effective increase in vol. of the bridging O atom causes a local deformation, that changes the strength of the lattice-chem. bonds over a few bond distances. Proton concn. effects as well as lattice-compn. effects can be understood from the lattice-relaxation model. The energetics of proton transfer is controlled by the need to stabilize the resulting Zwitter-ion. The pos. charge on the cation becomes stabilized by contact with basic lattice-O atom

Optical-phonon-mediated charge transport in substituted morpholinium TCNQ2 salts

Substituted morphollnium TCNQ2 compounds exhibit some universal features with respect to the field, frequency and temperature dependence of the conductivity. These characteristics are different from the closely related morphollnlum TCNQI compounds. We show that a natural way to account for these phenomena comes about by careful examination of the order parameter space, i.e. the space created by the two different order parameters which together determine the gap at the Fermi surface: (i) the regular Pelerls dimerization of the acceptor-acceptor overlap and (li) a coherent shift of the donor ~olecules with respect to the accep$ors. By describing small revolutions through parameter space (realized by phase coupling of two different phonons producing the above mentioned gap) the ground state electron gas is shifted with respect to the lattice, thereby producing a current. The model allows for a qualitative description of conductivityrelated phenomena in these systems

Mechanism and dynamics of the CO-induced lifting of the Pt(100) surface reconstruction

The first atomistic simulations of the CO-induced lifting of the Pt(100)-hex reconstruction have been performed. During this phase transformation the surface changes back to bulk-terminated Pt(100)-(1×1), whereby the surface atom density decreases by ~20%. The simulations reveal a mechanism collective in nature, indicating that restructuring proceeds through ejection of chains of Pt atoms. These chains explain the anisotropy as seen in scanning tunneling microscopy experiments. The restructuring rate depends nonlinearly on the CO coverage, but the absence of local clustering of CO excludes an explanation in terms of elementary reaction kinetics as proposed previously