Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Takashi Atoguchi"'
Autor:
Takashi Atoguchi
Publikováno v:
Journal of the Japan Petroleum Institute. 56:366-370
Publikováno v:
Applied Catalysis A: General. 313:160-166
We performed a density functional theory calculation of a beta zeolite (H-BEA) crystal unit cell containing two Al atoms and two protons. Two protons were put in a zeolite framework in order to compensate the excess charge caused by the substitution
Autor:
Satoshi Sato, Toshiaki Sodesawa, Takashi Atoguchi, Naoki Ichikawa, Akinobu Shiga, Ryoji Takahashi, Harunori Fujita
Publikováno v:
Journal of Catalysis. 239:13-22
The adsorption of 1,3-butanediol on an oxygen-defect site of a CeO 2 (111) surface was investigated with density functional theory (DFT) and paired interacting orbital (PIO) calculations in connection with the investigation of a CeO 2 (111) stoichiom
Autor:
Tomonori Kanougi, Takashi Atoguchi
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 222:253-257
The correlation between acid property of beta zeolite and its catalytic performance for phenol oxidation has been studied. Acid properties of beta zeolites in the proton form (H-BEA) and modified beta zeolite by alkaline earth metal ion exchange trea
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 220:183-187
Phenol oxidation with hydrogen peroxide into catechol (CL) and hydroquinone (HQ) over H-MFI, H-MOR, H-USY and H-BEA in the presence of diethylketone was investigated. Among the examined zeolites, large pore zeolites having 12-membered oxygen ring ape
Autor:
Shigeru Yao, Takashi Atoguchi
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 191:281-288
Ti atom siting in MFI zeolite framework was studied using one large cluster model containing about 200 atoms, which was made by trimming of MFI zeolite crystal, by means of ONIOM quantum mechanics/molecular mechanics (QM/MM and QM/QM hybrid) method.
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 177:289-298
Periodic density functional theory (DFT) study was performed in order to investigate structural properties as well as electronic states of the sulfated zirconia (S-ZrO 2 ) surface. It was found that H 2 SO 4 dissociatively adsorbs on the tetragonal (
Autor:
Takashi Atoguchi, Shigeru Yao
Publikováno v:
Journal of Molecular Catalysis A: Chemical. 176:173-178
Water addition to a reaction solvent accelerates the catalytic oxidation of phenol with hydrogen peroxide over titanosilicalite-1 (TS-1). The amount of produced dihydroxybenzene (hydroquinone and catechol) increases from 4.33 to 6.58 mmol with increa
Publikováno v:
Denki Kagaku oyobi Kogyo Butsuri Kagaku. 60:1063-1067
Publikováno v:
Journal of Electroanalytical Chemistry. 338:367-372
Underpotential deposition (UPD) of metal ions has been studied extensively over recent decades, since it can give wide changes in the electronic and electrocatalytic properties of the metal surface. Kolb summarized UPD phenomena up until 1978 [l], in