Interaction of Single-Atom Platinum–Oxygen Vacancy Defects for the Boosted Photosplitting Water H2 Evolution and CO2 Photoreduction: Experimental and Theoretical Study

2020 ◽  
Vol 124 (45) ◽  
pp. 24566-24579 ◽  
Author(s):  
Shengnan Cai ◽  
Liming Wang ◽  
Shiliang Heng ◽  
Haiyan Li ◽  
Yan Bai ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Theoretical Study ◽  
Single Atom ◽  
H2 Evolution ◽  
Co2 Photoreduction ◽  
Vacancy Defects

Single atom catalysts supported on N-doped graphene toward fast kinetic Li−S batteries: a theoretical study

2021 ◽  
Author(s):  
Xu Han ◽  
Zeyun Zhang ◽  
Xuefei Xu
Keyword(s):  
Theoretical Study ◽  
Single Atom ◽  
Discharge Process ◽  
Fast Kinetics ◽  
Shuttle Effect ◽  
Sufficient Stability ◽  
Doped Graphene ◽  
Fast Kinetic ◽  
Kinetics Of ◽  
Charge Discharge

To suppress the shuttle effect of lithium polysulfides and promote fast kinetics of charge−discharge process in Li−S batteries, it is essential to search promising catalysts with sufficient stability and high...

Theoretical Study of Oxygen-Vacancy Distribution in In2O3

2021 ◽  
Vol 125 (13) ◽  
pp. 7077-7085
Author(s):  
Lu Liu ◽  
Chang-Chun He ◽  
Jiarui Zeng ◽  
Yin-Hui Peng ◽  
Wan-Yu Chen ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Theoretical Study ◽  
Vacancy Distribution

First principles and machine learning based superior catalytic activities and selectivities for N2 reduction in MBenes, defective 2D materials and 2D π-conjugated polymer-supported single atom catalysts

2021 ◽  
Author(s):  
Mohammad Zafari ◽  
Arun S. Nissimagoudar ◽  
Muhammad Umer ◽  
Geunsik Lee ◽  
Kwang S. Kim
Keyword(s):  
Machine Learning ◽  
Nitrogen Fixation ◽  
First Principles ◽  
Conjugated Polymer ◽  
2D Materials ◽  
Single Atom ◽  
Vacancy Defects ◽  
Catalytic Activities ◽  
Polymer Supported ◽  
New Machine

The catalytic activity and selectivity can be improved for nitrogen fixation by using hollow sites and vacancy defects in 2D materials, while a new machine learning descriptor accelerates screening of efficient electrocatalysts.

scholarly journals Charge-Transfer Induced by the Oxygen Vacancy Defects in the Ag/MoO3 Composite System

Nanomaterials ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 1292
Author(s):  
Qi Chu ◽  
Jingmeng Li ◽  
Sila Jin ◽  
Shuang Guo ◽  
Eungyeong Park ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Oxygen Vacancy ◽  
Composite System ◽  
Wide Band ◽  
Utilization Rate ◽  
Wide Band Gap ◽  
Interesting Phenomenon ◽  
Vacancy Defects ◽  
Characterization Methods ◽  
Surface Enhanced Raman

In this paper, an Ag/MoO3 composite system was cosputtered by Ar plasma bombardment on a polystyrene (PS) colloidal microsphere array. The MoO3 formed by this method contained abundant oxygen vacancy defects, which provided a channel for charge transfer in the system and compensated for the wide band gap of MoO3. Various characterization methods strongly demonstrated the existence of oxygen vacancy defects and detected the properties of oxygen vacancies. 4-Aminothiophenol (p-aminothiophenol, PATP) was used as a candidate surface-enhanced Raman scattering (SERS) probe molecule to evaluate the contribution of the oxygen vacancy defects in the Ag/MoO3 composite system. Interestingly, oxygen vacancy defects are a kind of charge channel, and their powerful effect is fully reflected in their SERS spectra. Increasing the number of charge channels and increasing the utilization rate of the channels caused the frequency of SERS characteristic peaks to shift. This interesting phenomenon opens up a new horizon for the study of SERS in oxygen-containing semiconductors and provides a powerful reference for the study of PATP.

Oxygen vacancy defects in Ta2O5 showing long-range atomic re-arrangements

2014 ◽  
Vol 104 (11) ◽  
pp. 112906 ◽  
Author(s):  
Yuzheng Guo ◽  
John Robertson
Keyword(s):  
Oxygen Vacancy ◽  
Long Range ◽  
Vacancy Defects

scholarly journals Oxygen vacancy related distortions in rutileTiO2nanoparticles: A combined experimental and theoretical study

2016 ◽  
Vol 94 (23) ◽  
Author(s):  
G. C. Vásquez ◽  
S. Zh. Karazhanov ◽  
D. Maestre ◽  
A. Cremades ◽  
J. Piqueras ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Theoretical Study
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