Influence of lithium interstitial doping on the optoelectronic properties of NiO and WO3

Pérez, Israel; Faudoa, Juan Carlos Martínez; Acuña, Juan R. Abenuz; Galindo, José Trinidad Elizalde

doi:10.1016/j.commatsci.2020.110248

Cited by 18 publications

(8 citation statements)

References 72 publications

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“…Within the context of band theory, it is believed that electrons injected into the crystalline lattice of electrochromic electrodes fill new levels at the bottom of the conduction band and optical absorption can be seen as electron transitions between the occupied states in the valence band and the unoccupied states in the conduction band. 182 The number of electrons injected(extracted) is modulated by the number of ions inserted(extracted) into(from) the lattice. Absorption in turn is related to transmissivity which is the variable of interest in these devices.…”

Section: Ab Initio Calculations Of Performance Parameters For Electro...mentioning

confidence: 99%

“…Some optical modules calculate the dielectric tensor from which all these quantities can be derived as a function of wavelength or photon energy. 182 With these quantities at hand, the transmissivities for the colored and bleached states can be computed from one of the eqn ( 97)-( 102), depending on the case under study. The typical case is that of a glass substrate with a refractive index of 1.53 which gives good results using eqn (102).…”

Section: Dft Scheme For the Simulationmentioning

confidence: 99%

“…For anodic materials the above process is reversed. Representative materials used as anodes are: FeO, IrO, IrO 2 , NiO, V 2 O 5 , Cr 2 O 3 , CoO 2 , MnO 2 , RhO 2 6,182.…”

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confidence: 99%

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Ab initio methods for the computation of physical properties and performance parameters of electrochemical energy storage devices

Pérez

2023

Phys. Chem. Chem. Phys.

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Section: Ab Initio Calculations Of Performance Parameters For Electro...mentioning

confidence: 99%

Section: Dft Scheme For the Simulationmentioning

confidence: 99%

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Ab initio methods for the computation of physical properties and performance parameters of electrochemical energy storage devices

Pérez

2023

Phys. Chem. Chem. Phys.

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“…Amongst these electrochromic materials NiO is potential candidate due to its structural stability, high photo response, low cost and wider band gap. [7] The films of NiO have been reported as an anodic based electrochromic devices and is found ions storage semiconductor material, henceforth is an emerging candidate in the current field of research. [8] Electrochromic technique is based on variation in optical characteristics however causes behind this variation are still not confirmed.…”

Section: Introductionmentioning

confidence: 99%

Characterizing Nickel Oxide Thin Films for Smart Window Energy Conversion Applications: Combined Experimental and Theoretical Analyses

Khera,

Ullah,

Hussain

et al. 2023

ChemistrySelect

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In this work, we have analyzed key characteristics of nickel oxide (NiO) thin films using combined experimental and computational approaches for smart window applications. Thermo Gravimetric Analysis (TGA) depicts that nickel oxide films are stable beyond 275 °C.The XRD pattern revealed the single phase of the materials. FTIR studies confirm the stretching vibrational band of Ni−O. The current‐voltage analysis shows the semiconducting behavior of the materials. The synthesized NiO thin films have shown prominent electrochromic response with a wide linear range, better cyclic stability, high durability, and fast response time. The sample having concentration of 0.05 M/25 mL has best semi‐conductive response as rapid increase in current occurs above 0.8 V. Moreover, the electrochemical and optical properties have shown reversible redox behavior of the synthesized NiO thin films with changing their appearance from original greenish gray to the dark brown in the selected potential range. In addition, the computational study has also been performed for deep study of electronic charge conduction mechanism and photo response of NiO thin layer using Tran‐Blaha modified Becke Johnson (TB‐mBJ) approach. These fabricated NiO thin films have been utilized as an active electrode for electro chromic devices in smart window applications.

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“…The WO 3 is a wide-bandgap semiconductor of the n-type with the band gap of ∼ 2.8 eV. The WO 3 electron structure was a subject in many papers, for example, [5][6][7][8][9]. For WO 3 monoclinic phase, the valence band is made of the O 2p states with a minor impurity of W 5d states, while the conduction band is made of the W 5d states.…”

Section: Introductionmentioning

confidence: 99%

Sodium Adsorption on the Surface of Thermally Oxidized Tungsten

P.A.

E.V.

M.N.

et al. 2022

Physics of the Solid State

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Photoelectron spectroscopy was used to study the electronic structure in situ in an ultrahigh vacuum before and after the adsorption of sodium atoms on the surface of tungsten oxidized at an oxygen pressure of 1 Torr and a temperature of 950 K. The photoemission spectra from the valence band and the W 4f, O 2s, and Na 2p core states were studied under synchrotron excitation in the photon energy range 80-600 eV. It is found that a tungsten oxide film is formed containing various tungsten oxides with an oxidation state of 6+ to 4+. The deposition of a 1.1 monolayer of sodium atoms on the surface of oxidized tungsten leads to the reduction of the W6+ states to W4+ and the reaction with oxygen in the hydroxyl composition, which is reflected in the change in the spectrum of the W 4f and O 2s core states. It is shown that the cathodoluminescence spectrum is associated with the luminescence of tungsten oxide. Keywords: adsorption, sodium, tungsten oxides, photoelectron spectroscopy, cathodoluminescence.

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Influence of lithium interstitial doping on the optoelectronic properties of NiO and WO3

Cited by 18 publications

References 72 publications

Ab initio methods for the computation of physical properties and performance parameters of electrochemical energy storage devices

Ab initio methods for the computation of physical properties and performance parameters of electrochemical energy storage devices

Characterizing Nickel Oxide Thin Films for Smart Window Energy Conversion Applications: Combined Experimental and Theoretical Analyses

Sodium Adsorption on the Surface of Thermally Oxidized Tungsten

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