The electronic properties of impurities (N, C, F, Cl and S) in Ag3PO4: A hybrid functional method study

Huang, Yang; Ma, Tai; Chen, Qingyuan; Cao, Chao; He, Yao

doi:10.1038/srep12750

Cited by 12 publications

(14 citation statements)

References 40 publications

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“…The calculated transition energy level ε (−/0) for the complex is located at 0.54 eV above the VBM, deeper than the corresponding single N dopant (0.46 eV)17. It is because the radius of Li is very different from Ag.…”

Section: Resultsmentioning

confidence: 82%

“…In addition, we must enforce the constraint such as 2 μ Ag + μ O < Δ H f (Ag 2 O), to prevent the precipitation of Ag 2 O during the growing process of Ag 3 PO 4 . Similar constraint must be applied to P 2 O 5 17. To avoid the precipitation of constituent atoms, μ Ag , μ P , μ O must satisfy μ Ag < 0, μ P < 0, μ O < 0, respectively.…”

Section: Methodsmentioning

confidence: 99%

“…Oxygen is much more electronegative than the attempted nitrogen acceptor dopant, and the transition energy level of the N O acceptor should be high. Indeed, the calculated transition level for single acceptor N O is 0.4 eV above the VBM of Ag 3 PO 4 17. On the other hand, since the cohesive energy of N 2 is large, the chemical potential of N 2 is very low and the formation energy of N O is very high21.…”

mentioning

confidence: 93%

“…This is intriguing because most photocatalysts give much poorer quantum yields of ~20%12. Therefore, further studies1314151617 were carried out to understand the mechanism of its high water-oxidation activity. For example, Umezawa et al 18.…”

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confidence: 99%

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Cadmium and lithium doping in silver orthophosphate: An ab initio study

Huang

et al. 2016

Sci Rep

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Using hybrid functional calculations, we investigate the effects of defects and defect complexes related with Cd, Li, and N impurities on the atomic and electronic properties of Ag3PO4. It was found that substitutional Cd on Ag lattice site (CdAg) contributes to the n-type conductivity of Ag3PO4. For substitutional Cd on P (or O) lattice site (CdP) (or CdO), it is not expected that Cd will incorporate into the P (or O) site due to the strong covalent interactions in the PO4 structural units. The interstitial Cd (Cdi) acts as a shallow donor, but its formation energy is relatively high compared with that of CdAg. For the (CdAg-2NO) complex, the formation of this inactive complex generates a fully occupied impurity band just above the valence band maximum of Ag3PO4, which significantly reduces the acceptor transition energy level. But the formation energy of the (CdAg-2NO) complex is even higher than that of the corresponding single point defect NO. Unlike LiP and LiO which has relatively high formation energy, interstitial Li (Lii or Lii(s)) with an appreciable solubility is likely to be the n-type dopant under O-poor condition.

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Section: Resultsmentioning

confidence: 82%

Section: Methodsmentioning

confidence: 99%

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confidence: 93%

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confidence: 99%

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Cadmium and lithium doping in silver orthophosphate: An ab initio study

Huang

et al. 2016

Sci Rep

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“…It is a key component for proton exchange membranes and catalytic layers in polymer fuel cells. It is also commonly used in functional composites for electrochemical double layer capacitors [11][12][13] or even as protective coatings [14][15][16].…”

Section: Introductionmentioning

confidence: 99%

Understanding the Behavior of Electrosprayed Carbon Black‐Nafion Composite Layers

2018

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Electrosprayed composite films prepared from carbon and Nafion are especially suitable to be applied as microporous layers and protective coatings for a number of for proton exchange membrane fuel cell (PEMFC) components, due to of their particular properties. The electrospray deposition of carbon inks is a complex process that requires further study. In order to gain insight into the factors influencing the characteristics of electrosprayed films, the effect of some parameters has been analyzed. The solvent nature, the Nafion to carbon ratio in the ink, the ionization voltage (positive or negative) and the polymer distribution on the carbon surface are some of the studied variables. Surface characterization of these layers by techniques, such as XPS, SEM or thermal decomposition has provided very useful information about the structure of the layers and the interaction between their components. The results show that electrospray ionization induces a strong adsorption of the sulfonic groups of the ionomer on the carbon black surface, which is probably responsible for the high stability and durability of the layers and their superhydrophobic character. To our knowledge, this is the first study devoted to the analysis of the particular carbon‐Nafion interactions in electrosprayed films.

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Flexible and Stretchable Physical Sensor Integrated Platforms for Wearable Human‐Activity Monitoringand Personal Healthcare

2016

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Flexible and stretchable physical sensors that can measure and quantify electrical signals generated by human activities are attracting a great deal of attention as they have unique characteristics, such as ultrathinness, low modulus, light weight, high flexibility, and stretchability. These flexible and stretchable physical sensors conformally attached on the surface of organs or skin can provide a new opportunity for human-activity monitoring and personal healthcare. Consequently, in recent years there has been considerable research effort devoted to the development of flexible and stretchable physical sensors to fulfill the requirements of future technology, and much progress has been achieved. Here, the most recent developments of flexible and stretchable physical sensors are described, including temperature, pressure, and strain sensors, and flexible and stretchable sensor-integrated platforms. The latest successful examples of flexible and stretchable physical sensors for the detection of temperature, pressure, and strain, as well as their novel structures, technological innovations, and challenges, are reviewed first. In the next section, recent progress regarding sensor-integrated wearable platforms is overviewed in detail. Some of the latest achievements regarding self-powered sensor-integrated wearable platform technologies are also reviewed. Further research direction and challenges are also proposed to develop a fully sensor-integrated wearable platform for monitoring human activity and personal healthcare in the near future.

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The electronic properties of impurities (N, C, F, Cl and S) in Ag3PO4: A hybrid functional method study

Cited by 12 publications

References 40 publications

Cadmium and lithium doping in silver orthophosphate: An ab initio study

Cadmium and lithium doping in silver orthophosphate: An ab initio study

Understanding the Behavior of Electrosprayed Carbon Black‐Nafion Composite Layers

Flexible and Stretchable Physical Sensor Integrated Platforms for Wearable Human‐Activity Monitoringand Personal Healthcare

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