X-ray photoelectron spectroscopy of thallium halide valence bands

Porte, L.; Tranquard, A.

doi:10.1016/0009-2614(78)89017-4

Cited by 15 publications

(6 citation statements)

References 14 publications

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“…b are indicative of Tl

^{+ 1}

in TlBr and Tl

^{+ 3}

in Tl

_{2}

_{3}

, while the small feature at higher energy represents Tl

^{0}

metal and is consistent with the composition analysis of Tl‐rich regions. We note that the TlBr Tl

5 d

positions reported in Table differ from previous experimental reports by

\sim

Section: Resultsmentioning

confidence: 45%

“…We note that the TlBr Tl

5 d

positions reported in Table differ from previous experimental reports by

\sim

0.4 eV (see Table ), but these studies were not supplemented by theoretical calculations and include the uncertainty in identifying the true VBM from the XPS valence band edge . Considering this uncertainty extends to TlCl, we expect a similar error in previously reported Tl 5 d positions for pure TlCl (). Our results indicate that the incorporation of Cl leads to a slight downward shift of the Tl 5 d bands on an absolute energy scale, while the spin–orbit splitting of the Tl 5

d_{5 / 2}

and 5

d_{3 / 2}

states remains highly insensitive to the amount of Cl.…”

Section: Resultsmentioning

confidence: 45%

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Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors

Varley

Conway

Voss

et al. 2015

Physica Status Solidi (b)

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Thallium bromide (TlBr) crystals subjected to hydrochloric acid (HCl) chemical treatments have been shown to advantageously affect device performance and longevity in TlBr‐based room temperature radiation detectors, yet the exact mechanisms of the improvements remain poorly understood. Here, we investigate the influence of several HCl chemical treatments on device‐grade TlBr and describe the changes in the composition and electronic structure of the surface. Composition analysis and depth profiles obtained from secondary ion mass spectrometry (SIMS) identify the extent to which each HCl etch condition affects the detector surface region and forms of a graded TlBr/TlBr1−xClx surface heterojunction. Using a combination of X‐ray photoemission spectroscopy (XPS) and hybrid density functional calculations, we are able to determine the valence band offsets, band gaps, and conduction band offsets as a function of Cl content over the entire composition range of TlBr1−xClx. This study establishes a strong correlation between device process conditions, surface chemistry, and electronic structure with the goal of further optimizing the long‐term stability and radiation response of TlBr‐based detectors.

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“…b are indicative of Tl

^{+ 1}

in TlBr and Tl

^{+ 3}

in Tl

_{2}

_{3}

, while the small feature at higher energy represents Tl

^{0}

metal and is consistent with the composition analysis of Tl‐rich regions. We note that the TlBr Tl

5 d

positions reported in Table differ from previous experimental reports by

\sim

Section: Resultsmentioning

confidence: 45%

“…We note that the TlBr Tl

5 d

positions reported in Table differ from previous experimental reports by

\sim

d_{5 / 2}

and 5

d_{3 / 2}

states remains highly insensitive to the amount of Cl.…”

Section: Resultsmentioning

confidence: 45%

Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors

Varley

Conway

Voss

et al. 2015

Physica Status Solidi (b)

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“…118.6 and 123.1 eV, and Tl(III) at ca. 117.5 and 122.0 eV. − It is of interest to note that the signals of Tl(III) occur at binding energies lower than that of Tl(I), deviating from other group 13 elements. Thallium has an electronic configuration denoted as [Xe]4f 14 5d 10 6s 2 6p 1 in the ground state and possesses 6s 2 and 6p 1 as valence electrons.…”

Section: Resultsmentioning

confidence: 99%

Anti-MoS₂ Nanostructures: Tl₂S and Its Electrochemical and Electronic Properties

et al. 2015

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Layered transition metal dichalcogenides are catalytically important compounds. Unlike the mounting interest in transition metal dichalcogenides such as MoS2 and WS2 for electrochemical applications, other metal chalcogenides with layered structure but different chemical composition have received little attention among the scientific community. One such example is represented by thallium(I) sulfide (Tl2S), a Group 13 chalcogenide, which adopts the peculiar anti-CdCl2 type structure where the chalcogen is sandwiched between the metal layers. This is the exact opposite of a number of transition metal dichalcogenides like 1T-MoS2 adopting the regular CdCl2 structure type. The electronic structure of Tl2S thus differs from MoS2. Such structure may provide a useful insight and understanding toward its electrochemical behavior in relation to the electrochemical properties of MoS2. We thus investigated the intrinsic electroactivity of Tl2S and its implications for sensing and energy generation, specifically the electrocatalytic properties toward the hydrogen evolution reaction (HER). We show that Tl2S exhibits four distinct redox signals at ca. 0.4 V, -0.5 V, -1.0 V and -1.5 V vs Ag/AgCl as a result of its inherent cathodic and anodic processes. We also demonstrate that Tl2S possesses slow electron transfer abilities with a rate (k(0)obs) as low as 6.3 × 10(-5) cm s(-1). Tl2S displays a competent performance as a HER electrocatalyst compared to a conventional glassy carbon electrode. However, the poor conductivity of Tl2S renders the HER electrocatalytic behavior second-rate compared to MoS2. Furthermore, we investigated the electronic properties of Tl2S and found that Tl2S exhibits an unusually narrow band dispersion around the Fermi level. We show here that anti-MoS2 structure of Tl2S is accompanied by highly unusual features.

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“…For the L;," state the charge density distribution is formed by I(p, -p,) orbitals with some admixture of T16s orbitals. In [26] it has been found by photoelectron spectroscopy that the highest VB in the case of the cubic thallous halides is formed by cation s-orbitals and halogenous p-orbitals. That confirms our results on charge distributions.…”

Section: Discussionmentioning

confidence: 99%

Band Structure and Charge Density Distribution of Cubic Face‐Centred TlI Single Crystals

Dovgiǐ

Kityk

Kolinko

et al. 1991

Physica Status Solidi (b)

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For the first time self-consistent band-structure calculations of TI1 single crystals (space group 0:) are performed using nonlocal pseudopotentials. The method is described briefly. The contributions of the different band states to the charge density distributions are estimated. Correlations between the band dispersion, valence electron mobility, and charge density distribution are outlined. The origin of the different bands is defined and the total density of states is calculated.

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X-ray photoelectron spectroscopy of thallium halide valence bands

Cited by 15 publications

References 14 publications

Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors

Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors

Anti-MoS₂ Nanostructures: Tl₂S and Its Electrochemical and Electronic Properties

Band Structure and Charge Density Distribution of Cubic Face‐Centred TlI Single Crystals

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X-ray photoelectron spectroscopy of thallium halide valence bands

Cited by 15 publications

References 14 publications

Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors

Effect of chlorination on the TlBr band edges for improved room temperature radiation detectors

Anti-MoS2 Nanostructures: Tl2S and Its Electrochemical and Electronic Properties

Band Structure and Charge Density Distribution of Cubic Face‐Centred TlI Single Crystals

Contact Info

Product

Resources

About

Anti-MoS₂ Nanostructures: Tl₂S and Its Electrochemical and Electronic Properties