Zobrazeno 1 - 10
of 61
pro vyhledávání: '"Wen Shyan Sheu"'
Publikováno v:
Molecular Catalysis. 503:111414
Density functional theory was employed to investigate the catalytic activities of hydroxylated gold dimers, Au2OH, in the water-gas shift (WGS) reaction. The findings indicate that the hydroxylated gold dimer is capable of lowering the overall activa
Autor:
Wen-Shyan Sheu, Ming-Wen Chang
Publikováno v:
Physical Chemistry Chemical Physics. 19:2201-2206
Density functional theory is employed to investigate the role of Au charge in the water-gas-shift (WGS) reaction on a CeO2(111) surface with a cerium atom replaced by a gold atom. The oxidation state of the gold atom, varied between +3 and −1, is c
Autor:
Ming-Wen Chang, Wen-Shyan Sheu
Publikováno v:
Physical Chemistry Chemical Physics. 18:15884-15893
The surface structures and the charge on Au for a gold atom adsorbed on the cerium vacancy of the (111) surface of CeO2 in the presence of oxygen vacancies are investigated via density functional theory calculations. Without oxygen vacancies, the Au
Autor:
Ming-Wen Chang, Wen-Shyan Sheu
Publikováno v:
Surface Science. 628:104-110
The reaction mechanism for the oxidation of CO on Ag(111) in the presence of trace amounts of water is investigated via density-functional-theory calculations. A four-step cycle for the reaction is proposed: (1) H2O + O2 → HO + HO2; (2) HO2 + CO
Autor:
Ming-Wen, Chang, Wen-Shyan, Sheu
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(3)
Density functional theory is employed to investigate the role of Au charge in the water-gas-shift (WGS) reaction on a CeO
Autor:
Wen-Shyan Sheu, Mong-Feng Chiou
Publikováno v:
The Journal of Physical Chemistry A. 116:7694-7702
X(2)(-)(H(2)O) [X = O, F] is utilized to explore water binding motifs to an excess electron via ab initio calculations at the MP4(SDQ)/aug-cc-pVDZ + diffs(2s2p,2s2p) level of theory. X(2)(-)(H(2)O) can be regarded as a water molecule that binds to an
Autor:
Hsing-Yin Chen, Wen-Shyan Sheu
Publikováno v:
Journal of Chemical Physics; 5/8/1999, Vol. 110 Issue 18, p9032, 7p
Autor:
Wen-Shyan Sheu
Publikováno v:
Journal of Chemical Physics; 3/15/1999, Vol. 110 Issue 11, p5469, 4p
Autor:
Jim Long Her, Chia Yeh Miu, Wen Shyan Sheu, Yun Wen Lai, Hsiang Lin Liu, Minghuey Shieh, Miao Hsing Hsu, Li Fing Jang, Yen Yi Chu, Shu Fen Lin
Publikováno v:
Chemistry - A European Journal. 13:6605-6616
A new series of Te-Ru-Cu carbonyl complexes was prepared by the reaction of K(2)TeO(3) with [Ru(3)(CO)(12)] in MeOH followed by treatment with PPh(4)X (X=Br, Cl) and [Cu(MeCN)(4)]BF(4) or CuX (X=Br, Cl) in MeCN. When the reaction mixture of K(2)TeO(3
Autor:
Wen-Shyan Sheu, Dah-Yen Yang
Publikováno v:
Journal of Chemical Physics; 6/8/1997, Vol. 106 Issue 22, p9050, 7p