scholarly journals Thermodynamic insights into strong metal–support interaction of transition metal nanoparticles on titania: simple descriptors for complex chemistry

2021 ◽  
Vol 9 (7) ◽  
pp. 4044-4054
Author(s):  
Xing Wang ◽  
Arik Beck ◽  
Jeroen A. van Bokhoven ◽  
Dennis Palagin
Keyword(s):  
Interaction Strength ◽  
Alloy Formation ◽  
Transition Metal Nanoparticles ◽  
Metal Support Interaction ◽  
Material Environment ◽  
Metal Support ◽  
Environment Maps ◽  
Complex Chemistry ◽  
Good Descriptor ◽  
Simple Parameter

Using ab initio modelling, we demonstrate that a simple parameter – alloy formation energy – is a good descriptor of an interaction strength between metal substrates and oxide monolayers, which allows constructing structure–material–environment maps.

Hydrogen Production via Methane Decomposition Using Ni and Ni-Cu Catalysts Supported on MgO, Al2O3 and MgAl2O4

2010 ◽  
Vol 1279 ◽  
Author(s):  
José F. Pola ◽  
Miguel A. Valenzuela ◽  
Iván A. Córdova ◽  
J. A. Wang
Keyword(s):  
Bimetallic Catalysts ◽  
Fixed Bed ◽  
Decomposition Reaction ◽  
Methane Decomposition ◽  
Fixed Bed Reactor ◽  
Magnesium Aluminate ◽  
Alloy Formation ◽  
Support Interaction ◽  
Metal Support Interaction ◽  
Metal Support

AbstractNi (10%) and Ni-Cu (50 and 25%, respectively) catalysts supported on alumina, magnesia and magnesium aluminate were synthesized. The characterization was carried out by X-ray diffraction, nitrogen physisorption, temperature programmed-reduction, Raman spectroscopy and SEM. The catalysts were tested in the methane decomposition reaction using a tubular fixed bed reactor operated in the range of 500-580°C under atmospheric pressure. A higher activity was observed with the bimetallic catalysts supported on alumina and magnesium aluminate. These results were explained in terms of Ni-Cu alloy formation and weak metal-support interaction. In the case of monometallic catalysts, a strong metal-support interaction was detected, which revealed the lowest activity and stability compared with the bimetallic catalysts. The formed carbon was a combination of amorphous and graphite.

scholarly journals Experimental and computational study on roles of WOx promoting strong metal support promoter interaction in Pt catalysts during glycerol hydrogenolysis

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Tinnakorn Saelee ◽  
Poonnapa Limsoonthakul ◽  
Phakaorn Aphichoksiri ◽  
Meena Rittiruam ◽  
Mongkol Lerdpongsiripaisarn ◽  
...  
Keyword(s):  
Density Of States ◽  
Design Guidelines ◽  
Total Density ◽  
High Electron ◽  
Metal Support Interaction ◽  
Metal Support ◽  
Glycerol Hydrogenolysis ◽  
The Stability ◽  
Total Density Of States ◽  
Promoter Interaction

AbstractBiodiesel is of high interest due to increased demand for energy with the concern regarding more sustainable production processes. However, an inevitable by-product is glycerol. Hence, the conversion of this by-product to higher-value chemicals, especially 1,3-propanediol (1,3-PDO) via glycerol hydrogenolysis reaction, is one of the most effective pathways towards a profitable process. In general, this process is catalyzed by a highly active Pt-based catalyst supported on γ-Al2O3. However, its low 1,3-PDO selectivity and stability due to surface deactivation of such catalysts remained. This led to the surface modification by WOx to improve both the selectivity by means of the increased Brønsted acidity and the stability in terms of Pt leaching-resistance. Hence, we applied experimental and density functional theory (DFT)-based techniques to study the fundamentals of how WOx modified the catalytic performance in the Pt/γ-Al2O3 catalyst and provided design guidelines. The effects of WOx promoter on improved activity were due to the shifting of the total density of states towards the antibonding region evident by the total density of states (TDOS) profile. On the improved 1,3-PDO selectivity, the main reason was the increasing number of Brønsted acid sites due to the added WOx promoter. Interestingly, the stability improvement was due to the strong metal-support interaction (SMSI) that occurred in the catalyst, like typical high leaching-resistant catalysts. Also, the observed strong metal-support-promoter interaction (SMSPI) is an additional effect preventing leaching. The SMSPI stemmed from additional bonding between the WOx species and the Pt active site, which significantly strengthened Pt adsorption to support and a high electron transfer from both Pt and Al2O3 to WOx promoter. This suggested that the promising promoter for our reaction performed in the liquid phase would improve the stability if SMSI occurred, where the special case of the WOx promoter would even highly improve the stability through SMSPI. Nevertheless, various promoters that can promote SMSPI need investigations.

Isomorphic titanium-substituted mesoporous SBA-16 as support for cobalt Fischer–Tropsch synthesis catalysts: Balance between dispersion and reduction

2021 ◽  
Author(s):  
Liang Wei ◽  
Jian Chen ◽  
Shuai Lyu ◽  
Chengchao Liu ◽  
Yanxi Zhao ◽  
...  
Keyword(s):  
Catalytic Performance ◽  
Tropsch Synthesis ◽  
Fischer Tropsch ◽  
Fischer Tropsch Synthesis ◽  
Support Interaction ◽  
Delicate Balance ◽  
Metal Support Interaction ◽  
Metal Support ◽  
Synthesis Catalysts

The delicate balance between dispersion and reduction of the Co-based Fischer–Tropsch synthesis catalyst is the golden key to enhancing catalytic performance, which highly depends on an optimized metal–support interaction. In...

scholarly journals Electronic metal–support interaction modulates single-atom platinum catalysis for hydrogen evolution reaction

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yi Shi ◽  
Zhi-Rui Ma ◽  
Yi-Ying Xiao ◽  
Yun-Chao Yin ◽  
Wen-Mao Huang ◽  
...  
Keyword(s):  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Structure Activity Relationship ◽  
Atomic Level ◽  
Single Atom ◽  
Activity Relationship ◽  
Support Interaction ◽  
Structure Activity ◽  
Metal Support Interaction ◽  
Metal Support

AbstractTuning metal–support interaction has been considered as an effective approach to modulate the electronic structure and catalytic activity of supported metal catalysts. At the atomic level, the understanding of the structure–activity relationship still remains obscure in heterogeneous catalysis, such as the conversion of water (alkaline) or hydronium ions (acid) to hydrogen (hydrogen evolution reaction, HER). Here, we reveal that the fine control over the oxidation states of single-atom Pt catalysts through electronic metal–support interaction significantly modulates the catalytic activities in either acidic or alkaline HER. Combined with detailed spectroscopic and electrochemical characterizations, the structure–activity relationship is established by correlating the acidic/alkaline HER activity with the average oxidation state of single-atom Pt and the Pt–H/Pt–OH interaction. This study sheds light on the atomic-level mechanistic understanding of acidic and alkaline HER, and further provides guidelines for the rational design of high-performance single-atom catalysts.

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