scholarly journals Influence of Lithium Vacancy Defects on Tritium Diffusion in β-Li2TiO3

2020 ◽  
Vol 124 (23) ◽  
pp. 12286-12294
Author(s):  
Kamal N. Goswami ◽  
Samuel T. Murphy
Keyword(s):  
Vacancy Defects ◽  
Lithium Vacancy

scholarly journals Millisecond lattice gasification for high-density CO2- and O2-sieving nanopores in single-layer graphene

2021 ◽  
Vol 7 (9) ◽  
pp. eabf0116
Author(s):  
Shiqi Huang ◽  
Shaoxian Li ◽  
Luis Francisco Villalobos ◽  
Mostapha Dakhchoune ◽  
Marina Micari ◽  
...  
Keyword(s):  
Single Layer ◽  
High Density ◽  
Single Layer Graphene ◽  
Pore Density ◽  
Vacancy Defects ◽  
Carbon Gasification ◽  
Layer Graphene ◽  
Gas Molecules ◽  
Good Agreement

Etching single-layer graphene to incorporate a high pore density with sub-angstrom precision in molecular differentiation is critical to realize the promising high-flux separation of similar-sized gas molecules, e.g., CO2 from N2. However, rapid etching kinetics needed to achieve the high pore density is challenging to control for such precision. Here, we report a millisecond carbon gasification chemistry incorporating high density (>1012 cm−2) of functional oxygen clusters that then evolve in CO2-sieving vacancy defects under controlled and predictable gasification conditions. A statistical distribution of nanopore lattice isomers is observed, in good agreement with the theoretical solution to the isomer cataloging problem. The gasification technique is scalable, and a centimeter-scale membrane is demonstrated. Last, molecular cutoff could be adjusted by 0.1 Å by in situ expansion of the vacancy defects in an O2 atmosphere. Large CO2 and O2 permeances (>10,000 and 1000 GPU, respectively) are demonstrated accompanying attractive CO2/N2 and O2/N2 selectivities.

Synergistic vacancy defects and mechanical strain for the modulation of the mechanical, electronic and optical properties of monolayer tungsten disulfide

2021 ◽  
Vol 23 (10) ◽  
pp. 6298-6308
Author(s):  
Chan Gao ◽  
Xiaoyong Yang ◽  
Ming Jiang ◽  
Lixin Chen ◽  
Zhiwen Chen ◽  
...  
Keyword(s):  
Optical Properties ◽  
Transition Metal ◽  
Mechanical Strain ◽  
Transition Metal Dichalcogenides ◽  
Strain Engineering ◽  
Tungsten Disulfide ◽  
Defect Engineering ◽  
Vacancy Defects ◽  
Electronic And Optical Properties ◽  
Metal Dichalcogenides

The combination of defect engineering and strain engineering for the modulation of the mechanical, electronic and optical properties of monolayer transition metal dichalcogenides (TMDs).

scholarly journals Correction to “Rational Passivation of Sulfur Vacancy Defects in Two-Dimensional Transition Metal Dichalcogenides”

ACS Nano ◽  
2021 ◽  
Author(s):  
Hope Bretscher ◽  
Zhaojun Li ◽  
James Xiao ◽  
Diana Yuan Qiu ◽  
Sivan Refaely-Abramson ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Sulfur Vacancy ◽  
Vacancy Defects ◽  
Metal Dichalcogenides

scholarly journals Anion ordering and vacancy defects in niobium perovskite oxynitrides

2021 ◽  
Vol 2 (7) ◽  
pp. 2398-2407
Author(s):  
Joshua J. Brown ◽  
Youxiang Shao ◽  
Zhuofeng Ke ◽  
Alister J. Page
Keyword(s):  
First Principles ◽  
First Principles Calculations ◽  
Defect Engineering ◽  
Vacancy Defects ◽  
The Stability

First-principles calculations predict the stability and mobility of vacancy defects in niobium perovskite oxynitrides, aiding defect engineering for enhanced photocatalysis.

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.

Effect of vacancy defects on the thermal transport of β-Ga2O3

2021 ◽  
pp. 1-5
Author(s):  
Joydeep Munshi ◽  
Ankit Roy ◽  
Shane Hansen ◽  
Chinedu E. Ekuma ◽  
Ganesh Balasubramanian
Keyword(s):  
Thermal Transport ◽  
Vacancy Defects

scholarly journals Effect of vacancy defects on the electronic transport properties of an Ag–ZnO–Pt sandwich structure

2021 ◽  
Vol 20 (2) ◽  
pp. 798-804
Author(s):  
G. R. Berdiyorov ◽  
F. Boltayev ◽  
G. Eshonqulov ◽  
H. Hamoudi
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Density Functional ◽  
Practical Importance ◽  
Functional Formalism ◽  
Vacancy Defects ◽  
Electronic Transport Properties ◽  
Charge Localization ◽  
Metal Insulator Metal ◽  
Current Rectification

AbstractThe effect of zinc and oxygen vacancy defects on the electronic transport properties of Ag(100)–ZnO(100)–Pt(100) sandwich structures is studied using density functional theory in combination with the nonequilibrium Green’s functional formalism. Defect-free systems show clear current rectification due to voltage dependent charge localization in the system as revealed in our transmission eigenstates analysis. Regardless of the location, oxygen vacancies result in enhanced current in the system, whereas Zn vacancy defects reduce the charge transport across the junction. The current rectification becomes less pronounced in the presence of both types of vacancy defects. Our findings can be of practical importance for developing metal-insulator-metal diodes.

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.

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