Zobrazeno 1 - 10
of 1 787
pro vyhledávání: '"Kusakabe K"'
Publikováno v:
E3S Web of Conferences, Vol 287, p 04008 (2021)
The co-hydrothermal carbonization (Co-HTC) of polyvinyl chloride (PVC) film and wood chip (WC) was conducted at 200-260oC in an autoclave filled in air or nitrogen for the chemical recycling of wastes with dechlorination of PVC. Effects of the Co-HTC
Externí odkaz:
https://doaj.org/article/d056c725b8004c94af60beabc061bc57
Publikováno v:
E3S Web of Conferences, Vol 287, p 02008 (2021)
Immobilization of organometallic catalyst were attempted by using cyclodextrin-based metal-organic framework (CD-MOF) with the characteristic nanoporous structure. Water-soluble Co(II)TCPP was prepared as an organometallic catalyst and introduced int
Externí odkaz:
https://doaj.org/article/cff104ba05a14b96923876b8fdd1c4f2
To investigate chemical reactivity of Cu atomic-scale structures, we performed simulations based on the generalized gradient approximation in the density functional theory. An atomic layer of Cu forming a triangular lattice (TL) was found to give a s
Externí odkaz:
http://arxiv.org/abs/1105.2710
Stable oxygen sites on a PdO film over a Pd(100) thin structures with a (sqrt{5} times sqrt{5}) R27^circ surface-unit cell are determined using the first-principles electronic structure calculations with the generalized gradient approximation. The ad
Externí odkaz:
http://arxiv.org/abs/0909.5477
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi$_2$ at high pressure. Our simulation showed stability of the AlB$_2$ structure in a pressure range above 17 G
Externí odkaz:
http://arxiv.org/abs/0805.2649
Autor:
Kusakabe, K.
It is shown that a momentum-boost technique applied to the extended Kohn-Sham scheme enables the computational determination of the Mott insulating transition. Self-consistent solutions are given for correlated electron systems by the first-principle
Externí odkaz:
http://arxiv.org/abs/0707.2704
We have explored the unknown structure of the phosphorus in the phase IV (P-IV phase) based on the first-principles calculations using the metadynamics simulation method. Starting from the simple cubic structure, we found a new modulated structure of
Externí odkaz:
http://arxiv.org/abs/cond-mat/0511013
We propose a class of networks which can be regarded as an extension of the graphitic network. These networks are constructed so that surface states with non-bonding character (edge states) are formed in a tight-binding model with one orbital for eac
Externí odkaz:
http://arxiv.org/abs/cond-mat/0001027
Publikováno v:
Phys. Rep. 331 (2000) 197-281
We review fundamental issues arising in the exact solution of the one-dimensional Hubbard model. We perform a careful analysis of the Lieb-Wu equations, paying particular attention to so-called `string solutions'. Two kinds of string solutions occur:
Externí odkaz:
http://arxiv.org/abs/cond-mat/9904398
We present first-principles band calculations as well as structural optimization of the orthorhombic K$_1$C$_{60}$ polymerized phase. We found three-dimensional inter-fullerene bonding/anti-bonding characters consisting of $t_{1u}$ molecular orbitals
Externí odkaz:
http://arxiv.org/abs/cond-mat/9712285