Direct synthesis of mesoporous TiO2 and its catalytic performance in DBT oxidative desulfurization

AbstractTo accelerate the discovery of materials through computations and experiments, a well-established protocol closely bridging these methods is required. We introduce a high-throughput screening protocol for the discovery of bimetallic catalysts that replace palladium (Pd), where the similarities in the electronic density of states patterns were employed as a screening descriptor. Using first-principles calculations, we screened 4350 bimetallic alloy structures and proposed eight candidates expected to have catalytic performance comparable to that of Pd. Our experiments demonstrate that four bimetallic catalysts indeed exhibit catalytic properties comparable to those of Pd. Moreover, we discover a bimetallic (Ni-Pt) catalyst that has not yet been reported for H2O2 direct synthesis. In particular, Ni61Pt39 outperforms the prototypical Pd catalyst for the chemical reaction and exhibits a 9.5-fold enhancement in cost-normalized productivity. This protocol provides an opportunity for the catalyst discovery for the replacement or reduction in the use of the platinum-group metals.

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Direct synthesis, characterization and catalytic performance of Al-SBA-15 mesoporous catalysts with varying Si/Al molar ratios

Journal of Porous Materials ◽

10.1007/s10934-012-9626-6 ◽

2012 ◽

Vol 20 (3) ◽

pp. 539-546 ◽

Cited By ~ 13

Author(s):

Xiucheng Zheng ◽

Beibei Dong ◽

Chengyuan Yuan ◽

Ke Zhang ◽

Xiangyu Wang

Keyword(s):

Direct Synthesis ◽

Catalytic Performance ◽

Mesoporous Catalysts ◽

Molar Ratios

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Effect of Preparation Methods of HPW/SiO2 Mesoporous Composites on its Catalytic Performance in Fuel Oils Desulfurization

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.148-149.924 ◽

2010 ◽

Vol 148-149 ◽

pp. 924-928

Author(s):

Xue Min Yan ◽

Yuan Zhu Mi

Keyword(s):

Catalytic Activity ◽

Self Assembly ◽

Electrostatic Force ◽

Oxidative Desulfurization ◽

Strong Acid ◽

Catalytic Performance ◽

Synthesis Mechanism ◽

Base Interaction ◽

Preparation Methods ◽

Oh Groups

Two kinds of mesoporous HPW/SiO2 composites, which have been synthesized respectively by the amino-functionalized (AF) method and evaporation-induced self-assembly (EISA) method, have been used as catalysts in the oxidative desulfurization process of dibenzothiophene(DBT). The catalytic performance results show that the catalyst synthesized by EISA method holds higher catalytic activity than that synthesized by the AF method. The difference of catalytic activity can be attributed to the different synthesis mechanism of two kinds of composites. In the AF method, the bonding force between HPW and SiO2 is strong acid-base interaction, which damages the Keggin structure. Whereas in the EISA process, electrostatic force and hydrogen bonds between W=O groups and Si-OH groups are main bonding forces. The hydrogen bond holds the electron-withdrawing effect, which increases the activity of nonbonding W=O groups in HPW and then results in the enhancement of the catalytic activity.

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Efficient catalytic performance of tetra-alkyl orthotitanates for the oxidative desulfurization of dibenzothiophene at room temperature

Comptes Rendus Chimie ◽

10.1016/j.crci.2018.11.008 ◽

2019 ◽

Vol 22 (4) ◽

pp. 321-326 ◽

Cited By ~ 1

Author(s):

Xiaolin Li ◽

Hui Qi ◽

Wei Zhou ◽

Wei Xu ◽

Yinyong Sun

Keyword(s):

Room Temperature ◽

Oxidative Desulfurization ◽

Catalytic Performance

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Effects of surface hydroxyl groups induced by the co-precipitation temperature on the catalytic performance of direct synthesis of isobutanol from syngas

Fuel ◽

10.1016/j.fuel.2018.09.143 ◽

2019 ◽

Vol 237 ◽

pp. 1021-1028 ◽

Cited By ~ 6

Author(s):

Tao Zhang ◽

Yingquan Wu ◽

Xiaofeng Gao ◽

Hongjuan Xie ◽

Guohui Yang ◽

...

Keyword(s):

Direct Synthesis ◽

Catalytic Performance ◽

Hydroxyl Groups ◽

Surface Hydroxyl ◽

Precipitation Temperature ◽

Surface Hydroxyl Groups ◽

Co Precipitation

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Deep Oxidative Desulfurization of Dibenzothiophene by Functional Tungsten-Containing Mesoporoussilica from Polyoxometalate-Based Salts

Key Engineering Materials ◽

10.4028/www.scientific.net/kem.636.93 ◽

2014 ◽

Vol 636 ◽

pp. 93-96

Author(s):

Ming Zhang ◽

Wen Shuai Zhu ◽

Meng Li ◽

Yan An Li ◽

Suhang Xun ◽

...

Keyword(s):

Catalytic Activity ◽

Organic Solvents ◽

Room Temperature ◽

Oxidative Desulfurization ◽

Catalytic Performance ◽

Sulfur Compounds ◽

High Dispersion ◽

One Pot ◽

Tungsten Species

Tungsten-containing functional mesoporousW-SiO2 have been successfully synthesized by an one-pot and facile room-temperature procedure. These materials presented a high dispersion of tungsten species and excellent catalytic activity on the removal of sulfur compounds without any organic solvents as extractants. The catalytic performance on sulfur compounds was investigated in detail. After recycling for 8 times, the removal of the oxidation desulfurization system could still reach 92.0%.

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