Dual Active Centers Bridged by Oxygen Vacancies of Ru Single Atoms Hybrids Supported on Molybdenum Oxide for Photocatalytic Ammonia Synthesis

2021 ◽  
Author(s):  
Haibo Yin ◽  
Zhen Chen ◽  
Yue Peng ◽  
Shangchao Xiong ◽  
Hiromi Yamashita ◽  
...  
Keyword(s):  
Molybdenum Oxide ◽  
Oxygen Vacancies ◽  
Ammonia Synthesis ◽  
Active Centers ◽  
Single Atoms

Synergy of Single Atoms Pd and Oxygen Vacancies on In2O3 for Highly Selective C1 Oxygenates Production from Methane under Visible Light

2021 ◽  
Author(s):  
Lei Luo ◽  
Lei Fu ◽  
Huifen Liu ◽  
Youxun Xu ◽  
Jialiang Xing ◽  
...  
Keyword(s):  
Oxygen Vacancies ◽  
Single Atom ◽  
Electron Transfer Pathway ◽  
Mild Conditions ◽  
Single Atoms ◽  
Primary Products ◽  
Critical Issues ◽  
Regulation Of Activity ◽  
Visible Irradiation ◽  
Dft Modelling

Abstract Methane (CH4) oxidation to high value chemicals under mild conditions through photocatalysis is a sustainable and appealing pathway, nevertheless confronting the critical issues on both conversion and selectivity. Herein, under visible irradiation (420 nm), the synergy of palladium (Pd) atom cocatalyst and oxygen vacancies (OVs) on In2O3 nanorods enabled superior photocatalytic CH4 activation by O2. The optimised catalyst reached ca. 100 µmol·h− 1 of C1 oxygenates, with a selectivity of primary products (CH3OH and CH3OOH) up to 82.5 %. Mechanism investigation elucidated that such superior photocatalysis was induced by the dedicated function of Pd single atoms and oxygen vacancies on boosting hole and electron transfer pathway, respectively. O2 was proven to be the only oxygen source for CH3OH production, while H2O acted as the promoter for efficient CH4 activation through ·OH production and facilitated product desorption as indicated by DFT modelling. This work thus provides new understandings on simultaneous regulation of activity and selectivity by the significant synergy of single atom cocatalysts and oxygen vacancies.

Improved stability and activity of Fe-based catalysts through strong metal support interactions due to extrinsic oxygen vacancies in Ce0.8Sm0.2O2−δ for the efficient synthesis of ammonia

2020 ◽  
Vol 8 (32) ◽  
pp. 16676-16689 ◽  
Author(s):  
John Humphreys ◽  
Rong Lan ◽  
Shigang Chen ◽  
Shanwen Tao
Keyword(s):  
Catalytic Activity ◽  
Oxygen Vacancies ◽  
Ammonia Synthesis ◽  
Efficient Synthesis ◽  
Anion Vacancies ◽  
Metal Support ◽  
Improved Stability ◽  
Synthesis Catalysts ◽  
Metal Support Interactions

The SMSI between Fe and oxygen vacancies in Ce0.8Sm0.2O2−δ helps to weaken and break the strong NN bonds in N2, increasing the catalytic activity. Materials with anion vacancies improve oxygenate tolerance property of ammonia synthesis catalysts.

A nickel molybdenum oxide nanoarray as an efficient and stable electrocatalyst for overall water splitting

2020 ◽  
Vol 44 (20) ◽  
pp. 8176-8182 ◽  
Author(s):  
Xiaoshuang Zhang ◽  
Hui Su ◽  
Xiaoqiang Du
Keyword(s):  
Water Splitting ◽  
Molybdenum Oxide ◽  
Adsorption Energy ◽  
Active Sites ◽  
Oxygen Vacancies ◽  
Dft Calculation ◽  
Catalytic Properties ◽  
Overall Water Splitting ◽  
Calculation Results

Experimental and DFT calculation results show that the presence of oxygen vacancies can decrease the adsorption energy of intermediates at active sites and facilitate their adsorption, thus improving the catalytic properties.

scholarly journals Transition-metal single atoms in nitrogen-doped graphenes as efficient active centers for water splitting: a theoretical study

2019 ◽  
Vol 21 (6) ◽  
pp. 3024-3032 ◽  
Author(s):  
Yanan Zhou ◽  
Guoping Gao ◽  
Yan Li ◽  
Wei Chu ◽  
Lin-Wang Wang
Keyword(s):  
Free Energy ◽  
Theoretical Study ◽  
Hydrogen Adsorption ◽  
Catalytic Performance ◽  
High Catalytic Activity ◽  
Active Centers ◽  
Nitrogen Doped ◽  
Single Atoms ◽  
Adsorption Free Energy ◽  
Excellent Catalytic Performance

A triple-coordinated Co exhibits high catalytic activity toward HER with a calculated hydrogen adsorption free energy of −0.01 eV, and a quadruple-coordinated Co shows excellent catalytic performance toward OER with a low computed overpotential of −0.39 V.

Mein Leben mit der Wissenschaft

10.47261/1550 ◽  
2021 ◽  
Author(s):  
Gerhard Ertl
Keyword(s):  
Heterogeneous Catalysis ◽  
Surface Science ◽  
Ammonia Synthesis ◽  
Atomic Level ◽  
The Novel ◽  
Active Centers ◽  
Technical Problems ◽  
Basic Concepts ◽  
To Receive ◽  
Kinetics Of

Gerhard Ertl: My Life With Science (Lives in Chemistry–Lebenswerke in der Chemie) Who has had the luck to receive the Nobel Prize as a surprise birthday present? The answer is GERHARD ERTL, born in 1936. In his youth he was interested in music, chemistry, and physics, and started university in Stuttgart followed by Paris and Munich. The door to research opened itself in his diploma thesis. His courage showed itself early on when he was a PhD student, and led him to the novel field of surface science and so to heterogeneous catalysis where he became one of the great pioneers. He discovered at an atomic level the mechanisms and kinetics of ammonia synthesis and CO oxidation. He identified the “active centers” of catalysts—and his line of thought shaped current heterogeneous catalysis that is so important for modern industry and society. Time after time he set out basic concepts for solving important scientific and technical problems—with patience and without any fuss. Typical for Gerhard Ertl!

Iridium Single Atoms Coupling with Oxygen Vacancies Boosts Oxygen Evolution Reaction in Acid Media

2020 ◽  
Vol 142 (43) ◽  
pp. 18378-18386 ◽  
Author(s):  
Jie Yin ◽  
Jing Jin ◽  
Min Lu ◽  
Bolong Huang ◽  
Hong Zhang ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Oxygen Vacancies ◽  
Acid Media ◽  
Single Atoms

Nitrogen-free TMS4-centers in metal–organic frameworks for ammonia synthesis

2020 ◽  
Vol 8 (38) ◽  
pp. 20047-20053 ◽  
Author(s):  
Xingshuai Lv ◽  
Wei Wei ◽  
Hao Wang ◽  
Fengping Li ◽  
Baibiao Huang ◽  
...  
Keyword(s):  
High Throughput ◽  
First Principles ◽  
High Throughput Screening ◽  
Ammonia Synthesis ◽  
Metal Organic Frameworks ◽  
Active Centers ◽  
Performance Properties ◽  
Metal Organic

MOFs for N2 reduction: performing first-principles high-throughput screening on a series of 2D TM–BHT, we could show that a subtle synergism between TMS4 active centers and the ligands is a prerequisite for a high NRR performance, properties which Mo–BHT seems to fulfill.

Supported Catalysts with Ru-M (M = Fe, Co, Ni, Mo) Bimetallic Active Centers for Ammonia Synthesis

2006 ◽  
Vol 27 (5) ◽  
pp. 378-380 ◽  
Author(s):  
Zhenwei YANG ◽  
Weiming GUO ◽  
Jingdong LIN ◽  
Daiwei LIAO
Keyword(s):  
Ammonia Synthesis ◽  
Supported Catalysts ◽  
Active Centers
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