Effects of gas-liquid interface on the theoretical X-ray absorption spectroscopy of phenylenediamines
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Electrochemical Analysis and Applications · Electrochemical sensors and biosensors · Gold and Silver Nanoparticles Synthesis and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (35)
Show source-provided references
1. The photochemical reaction of phenol becomes ultrafast at the air-water interface10.1038/s41557-020-00619-5 ↗
2. Prediction of reaction mechanism for OH radical-mediated phenol oxidation using quantum chemical calculation10.1016/j.chemosphere.2021.132763 ↗
3. The mechanism and kinetics model of degradation of dicarboxylic acids by hydroxyl radicals under atmospheric conditions
4. Molecular reactions at aqueous interfaces10.1038/s41570-020-0203-2 ↗
5. Combining advanced photoelectron spectroscopy approaches to analyse deeply buried GaP(As)/Si(100) interfaces: Interfacial chemical states and complete band energy diagrams10.1016/j.apsusc.2022.154630 ↗
6. Local atomic structure of the GaN-side of the Al2O3/GaN interface revealed by X-ray absorption spectroscopy10.1016/j.apsusc.2020.146058 ↗
7. Physical properties, exciton analysis, and visualization of core-excited states: an intermediate state representation approach10.1021/acs.jctc.5b01161 ↗
8. Unravelling the role of an aqueous environment on the electronic structure and ionization of phenol using photoelectron spectroscopy10.1021/acs.jpclett.7b03310 ↗
9. Microplasmas for advanced materials and devices10.1002/adma.201905508 ↗
10. Review on the treatment of organic wastewater by discharge plasma combined with oxidants and catalysts10.1007/s11356-020-11222-z ↗
11. Non-thermal plasma as a promising route for the removal of tar from the product gas of biomass gasification – a critical review10.1016/j.cej.2019.122761 ↗
12. Recent progress and prospects in catalytic water treatment10.1021/acs.chemrev.1c00527 ↗
13. Advanced oxidation processes in microreactors for water and wastewater treatment: development, challenges, and opportunities10.1016/j.watres.2022.118047 ↗
14. Computational insight into complex structures of thorium coordination with N, N’- bis(3-allyl salicylidene)-o-phenylenediamine10.1007/s00894-016-3089-7 ↗
15. Yellow emissive Se, N-codoped carbon dots toward sensitive fluorescence assay of crystal violet10.1016/j.jhazmat.2020.122073 ↗
16. Red, green, and blue luminescence by carbon dots: full-color emission tuning and multicolor cellular imaging10.1002/anie.201501193 ↗
17. Photoluminescence mechanism of carbon dots: triggering high-color-purity red fluorescence emission through edge amino protonation10.1038/s41467-021-27071-4 ↗
18. Phenylenediamine-derived near infrared carbon dots: the kilogram-scale preparation, formation process, photoluminescence tuning mechanism and application as red phosphors10.1016/j.carbon.2022.02.054 ↗
19. m-Phenylenediamine as a building block for polyimide battery cathode materials10.1021/acsaem.1c00092 ↗
20. Revisiting the structure and electrochemical performance of poly(o-phenylenediamine) as an organic cathode material
21. A highly sensitive perovskite oxide sensor for detection of p-phenylenediamine in hair dyes10.1016/j.jhazmat.2019.02.070 ↗
22. CP2K: an electronic structure and molecular dynamics software package - Quickstep: efficient and accurate electronic structure calculations10.1063/5.0007045 ↗
23. Case · Amber · 2022 · 2022
24. Inner-shell spectroscopy by the Gaussian and augmented plane wave method10.1039/b615522g ↗
25. Electron affinities of the first─row atoms revisited. Systematic basis sets and wave functions10.1063/1.462569 ↗
26. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen10.1063/1.456153 ↗
27. Near-edge X-ray absorption fine structure spectra and site-selective dissociation of phenol
28. Gas-liquid interface influencing electronic structure of phenol based on molecular dynamics simulations and theoretical X-ray absorption spectroscopy10.1016/j.molliq.2021.117378 ↗
29. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy10.1039/b508541a ↗
30. Accurate Coulomb-fitting basis sets for H to Rn10.1039/b515623h ↗
31. Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11─1810.1063/1.438980 ↗
32. Self─consistent molecular orbital methods. XX. A basis set for correlated wave functions10.1063/1.438955 ↗
33. VMD – visual molecular dynamics10.1016/0263-7855(96)00018-5 ↗
34. The atomic simulation environment─a Python library for working with atoms
35. Scikit-learn: machine learning in python