Catalytic Chemistry Predicted by a Charge Polarization Descriptor: Synergistic O2 Activation and CO Oxidation by Au–Cu Bimetallic Clusters on TiO2(101)

2019 ◽  
Vol 11 (9) ◽  
pp. 9629-9640 ◽  
Author(s):  
Chuanyi Jia ◽  
Xijun Wang ◽  
Wenhui Zhong ◽  
Zhunzhun Wang ◽  
Oleg V. Prezhdo ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Bimetallic Clusters ◽  
O2 Activation ◽  
Charge Polarization ◽  
A Charge ◽  
Catalytic Chemistry

Oxygen Vacancy Promoted O2 Activation over Perovskite Oxide for Low-Temperature CO Oxidation

ACS Catalysis ◽  
2019 ◽  
Vol 9 (11) ◽  
pp. 9751-9763 ◽  
Author(s):  
Ji Yang ◽  
Siyu Hu ◽  
Yarong Fang ◽  
Son Hoang ◽  
Li Li ◽  
...  
Keyword(s):  
Low Temperature ◽  
Oxygen Vacancy ◽  
Co Oxidation ◽  
Perovskite Oxide ◽  
O2 Activation ◽  
Low Temperature Co Oxidation

scholarly journals A charge polarization model for the metal-specific activity of superoxide dismutases

2018 ◽  
Vol 20 (4) ◽  
pp. 2363-2372
Author(s):  
Anna Barwinska-Sendra ◽  
Arnaud Baslé ◽  
Kevin J. Waldron ◽  
Sun Un
Keyword(s):  
Specific Activity ◽  
Angular Position ◽  
Superoxide Dismutases ◽  
Polarization Model ◽  
Charge Polarization ◽  
A Charge

EPR shows that the angular position of the histidine-171 ligand likely plays an important role in metal-selective activities of Mn/FeSODs.

Photoinduced Homolytic Bond Cleavage of the Central Si–C Bond in Porphyrin Macrocycles Is a Charge Polarization Driven Process

2016 ◽  
Vol 120 (39) ◽  
pp. 7634-7640 ◽  
Author(s):  
Buddhadev Maiti ◽  
Arun K. Manna ◽  
Christopher McCleese ◽  
Tennyson L. Doane ◽  
Sudha Chakrapani ◽  
...  
Keyword(s):  
Bond Cleavage ◽  
Charge Polarization ◽  
A Charge ◽  
Homolytic Bond Cleavage ◽  
Porphyrin Macrocycles

Modulation of the catalytic activity of Pt nanoparticles through charge-transfer interactions with metal–organic frameworks

2017 ◽  
Vol 53 (50) ◽  
pp. 6720-6723 ◽  
Author(s):  
Shotaro Yoshimaru ◽  
Masaaki Sadakiyo ◽  
Aleksandar Staykov ◽  
Kenichi Kato ◽  
Miho Yamauchi
Keyword(s):  
Catalytic Activity ◽  
Charge Transfer ◽  
Co Oxidation ◽  
Oxidation Reaction ◽  
Metal Organic Frameworks ◽  
Pt Nanoparticles ◽  
Charge Transfer Interaction ◽  
Co Oxidation Reaction ◽  
Metal Organic ◽  
A Charge

A charge transfer interaction between Pt nanoparticles and MOFs modulated the catalytic activity of Pt for a CO oxidation reaction.

scholarly journals A theoretical study of CO oxidation and O2 activation for transition metal overlayers on SrTiO3 perovskite

2020 ◽  
Vol 391 ◽  
pp. 229-240
Author(s):  
Long Zhang ◽  
Ming-Wen Chang ◽  
Ya-Qiong Su ◽  
Ivo A.W. Filot ◽  
Emiel J.M. Hensen
Keyword(s):  
Transition Metal ◽  
Co Oxidation ◽  
Theoretical Study ◽  
O2 Activation ◽  
Metal Overlayers

Promoting Effects of In2O3 on Co3O4 for CO Oxidation: Tuning O2 Activation and CO Adsorption Strength Simultaneously

ACS Catalysis ◽  
2014 ◽  
Vol 4 (11) ◽  
pp. 4143-4152 ◽  
Author(s):  
Yang Lou ◽  
Jian Ma ◽  
Xiaoming Cao ◽  
Li Wang ◽  
Qiguang Dai ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Co Adsorption ◽  
O2 Activation

CO Oxidation over Au/ZnO: Unprecedented Change of the Reaction Mechanism at Low Temperature Caused by a Different O2 Activation Process

ACS Catalysis ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 8364-8372 ◽  
Author(s):  
Takashi Fujita ◽  
Tamao Ishida ◽  
Kohei Shibamoto ◽  
Tetsuo Honma ◽  
Hironori Ohashi ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Low Temperature ◽  
Co Oxidation ◽  
Activation Process ◽  
O2 Activation

CO oxidation on Ru–Pt bimetallic nanoclusters supported on TiO2(101): The effect of charge polarization

2018 ◽  
Vol 148 (12) ◽  
pp. 124701 ◽  
Author(s):  
Chuanyi Jia ◽  
Wenhui Zhong ◽  
Mingsen Deng ◽  
Jun Jiang
Keyword(s):  
Co Oxidation ◽  
Bimetallic Nanoclusters ◽  
Charge Polarization

Reactivity of the free and (5,5)-carbon nanotube-supported AuPt bimetallic clusters towards O2 activation: a theoretical study

2015 ◽  
Vol 17 (5) ◽  
pp. 3659-3672 ◽  
Author(s):  
Fazel Shojaei ◽  
Masoumeh Mousavi ◽  
Fariba Nazari ◽  
Francesc Illas
Keyword(s):  
Density Functional Theory ◽  
Carbon Nanotube ◽  
Electronic Structures ◽  
Density Functional ◽  
Theoretical Study ◽  
Bimetallic Clusters ◽  
Functional Theory ◽  
O2 Activation

Density functional theory (DFT)-based calculations were carried out to predict the geometry, energy and electronic structures of the small bimetallic AumPtn (2 ≤ m + n ≤ 4) clusters deposited on a single-wall (5,5)-carbon nanotube (CNT).

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