XPS analysis and structural characterization of CZTS thin films deposited by one-step thermal evaporation

Ahmadi, S.; Khémiri, N.; Cantarero, A.; Kanzari, M.

doi:10.1016/j.jallcom.2022.166520

Cited by 15 publications

(9 citation statements)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…From these, the binding energies and the oxidation states of the elements were determined (Table S1). For the CZTS films, the two peaks located at 952.1 and 932.2 eV are attributed to the Cu 2p 1/2 and Cu 2p 3/2 energy levels of Cu(I) (Figure a); the peaks at 1045.2 and 1022.1 eV to the Zn 2p 1/2 and Zn 2p 3/2 states of Zn(II) (Figure b); the peaks at 495.3 and 486.8 eV to the 3d 3/2 and 3d 5/2 states of Sn(IV) (Figure c); and the peaks at 162.8 and 161.7 eV to the S 2p 1/2 and S 2p 3/2 of S 2– (Figure d). Compared to the XPS measurements on the CZTS thin films, the peaks for Cu, Zn, Sn, and S in the spectra of the CZFCTS-1 films are displaced slightly to lower binding energies, suggesting a decrease in the oxidation states and reduced surface oxidation .…”

Section: Resultsmentioning

confidence: 99%

Exceptional Thermoelectric Performance of Cu₂(Zn,Fe,Cd)SnS₄ Thin Films

Liu,

McNaughter,

Liu

et al. 2024

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

High-quality Cu 2 (Zn,Fe,Cd)SnS 4 (CZFCTS) thin films based on the parent CZTS were prepared by aerosol-assisted chemical vapor deposition (AACVD). Substitution of Zn by Fe and Cd significantly improved the electrical transport properties, and monophasic CZFCTS thin films exhibited a maximum power factor (PF) of ∼0.22 μW cm −1 K −2 at 575 K. The quality and performance of the CZFCTS thin films were further improved by postdeposition annealing. CZFCTS thin films annealed for 24 h showed a significantly enhanced maximum PF of ∼2.4 μW cm −1 K −2 at 575 K. This is higher than all reported values for single-phase quaternary sulfide (Cu 2 BSnS 4 , B = Mn, Fe, Co, Ni) thin films and even exceeds the PF for most polycrystalline bulk materials of these sulfides. Density functional theory (DFT) calculations were performed to understand the impact of Cd and Fe substitution on the electronic properties of CZTS. It was predicted that CZFCTS would have a smaller band gap than CZTS and a higher density of states (DoS) near the Fermi level. The thermal conductivity and thermoelectric figure of merit (zT) of the CZFCTS thin films have been evaluated, yielding an estimated maximum zT range of 0.18−0.69 at 550 K. The simple processing route and improved thermoelectric performance make CZFCTS thin films extremely promising for thermoelectric energy generation.

show abstract

Section: Resultsmentioning

confidence: 99%

Exceptional Thermoelectric Performance of Cu₂(Zn,Fe,Cd)SnS₄ Thin Films

Liu,

McNaughter,

Liu

et al. 2024

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

show abstract

“…Figures and 17 show the peak-fitted N1spectra of HM, JM, FM, CY, and WY coal samples at room temperature, 70, and 200 °C. The spectra can be fitted with four peaks that correspond to pyridinic N (N-6) at 398.4 ± 0.2 eV, pyrrolic N (N-5) at 400.3 ± 0.2 eV, quaternary N (N-Q) at 401.4 ± 0.2 eV, and oxidized N (N-X) at 403.2 ± 0.2 eV . The nitrogen in coal was mainly found to be in the of N-5 and N-6, both with a relatively large share of the peak area.…”

Section: Results and Discussionmentioning

confidence: 99%

“…The spectra can be fitted with four peaks that correspond to pyridinic N (N-6) at 398.4 ± 0.2 eV, pyrrolic N (N-5) at 400.3 ± 0.2 eV, quaternary N (N-Q) at 401.4 ± 0.2 eV, and oxidized N (N-X) at 403.2 ± 0.2 eV. 39 The nitrogen in coal was mainly found to be in the of N-5 and N-6, both with a relatively large share of the peak area. A small amount of N-Q and N-X within the large aromatic structure (≥5 rings) can also be observed.…”

Section: Results and Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Reaction Mechanism of Nitrogen-Containing Heterocyclic Compounds Affecting Coal Spontaneous Combustion

Zhang,

Xi,

Gong

et al. 2023

ACS Omega

View full text Add to dashboard Cite

To uncover the reaction mechanism of nitrogencontaining heterocyclic compounds affecting coal self-heating, quantum chemical calculations and X-ray photoelectron spectroscopy (XPS) experiments were applied to elucidate the reaction pathways and thermodynamic characteristics of pyrrole, pyridine, indole, quinoline, and carbazole. Results show that in pyrrole, pyridine, indole, quinoline, and carbazole, the reaction with O 2 captures the H atom and leads to the formation of •OOH and pyrrolyl, pyridinyl, indolyl, quinolinyl, and carbazolyl radicals, respectively. The activation energies are 118.15, 86.642, 34.132, 21.004, and 47.259 kJ/mol, respectively. ROO• formed by spontaneous adsorption of O 2 by nitrogen-containing radicals undergoes self-reaction, and the O−O bond is broken and dehydrogenated to generate •OH. Subsequently, at room temperature, •OH reacts with pyrrole, pyridine, indole, quinoline, and carbazole, resulting in the formation of H 2 O and pyrrolyl, pyridinyl, indolyl, quinolinyl, and carbazolyl radicals, respectively, thereby forming a cyclic chain reaction. The XPS analysis yielded the following findings: (i) when the temperature rises to 70 °C, the N-5 and N-6 content decrease, which is attributed to the activation energy; (ii) when the temperature reaches 200 °C, the N-5 content decreases, which can be attributed to the activation energy required for the oxidation of pyrrole (118.5 kJ/mol).

show abstract

“…The preparation work-up and, specifically, the drying stage in air in the “wet” mechanochemical synthesis method, constitutes yet another oxygen source, possibly even more acute, since one deals at this stage with very reactive, high-surface-area nanopowders exposed to air for relatively long and variable periods of time. As a result, such oxidation by-products are detected for kesterite samples as metal sulfates including copper sulfate pentahydrate CuSO 2 •5H 2 O, zinc sulfate monohydrate ZnSO 4 •H 2 O, and, possibly, hydrated tin oxide SnO 2 •xH 2 O not only in the mechanochemical synthesis method [ 4 , 5 , 9 ] but also in other preparation routes [ 10 , 11 , 12 ]. It is instructive to note that in some kesterite studies, the presence of oxygen-bearing species is evident from inspection of the data, although it is not specifically acknowledged or appropriately commented on by authors [ 13 ] (e.g., XPS survey scans with the apparent O 1s band in the range of 529–531 eV for oxides or the S2p 3/2 /S2p 1/2 bands in the range of 167–172 eV for the sulfate group [SO 4 ] −2 ).…”

Section: Introductionmentioning

confidence: 99%

Thermogravimetric/Thermal–Mass Spectroscopy Insight into Oxidation Propensity of Various Mechanochemically Made Kesterite Cu2ZnSnS4 Nanopowders

Lejda,

Partyka,

Janik

2024

Materials

View full text Add to dashboard Cite

Thermogravimetry coupled with thermal analysis and quadrupole mass spectroscopy TGA/DTA-QMS were primarily used to assess the oxidation susceptibility of a pool of nanocrystalline powders of the semiconductor kesterite Cu2ZnSnS4 for prospective photovoltaic applications, which were prepared via the mechanochemically assisted synthesis route from two different precursor systems. Each system, as confirmed by XRD patterns, yielded first the cubic polytype of kesterite with defunct semiconductor properties, which, after thermal annealing at 500 °C under neutral gas atmosphere, was converted to the tetragonal semiconductor polytype. The TGA/DTA-QMS determinations up to 1000 °C were carried out under a neutral argon Ar atmosphere and under a dry, oxygen-containing gas mixture of O2:Ar = 1:4 (vol.). The mass spectroscopy data confirmed that under each of the gas atmospheres, a distinctly different, multistep evolution of such oxygen-bearing gaseous compounds as sulfur oxides SO2/SO3, carbon dioxide CO2, and water vapor H2O was taking place. The TGA/DTA changes in correlation with the nature of evolving gases helped in the elucidation of the plausible chemistry linked to kesterite oxidation, both in the stage of nanopowder synthesis/storage at ambient air conditions and during forced oxidation up to 1000 °C in the dry, oxygen-containing gas mixture.

show abstract

XPS analysis and structural characterization of CZTS thin films deposited by one-step thermal evaporation

Cited by 15 publications

References 55 publications

Exceptional Thermoelectric Performance of Cu₂(Zn,Fe,Cd)SnS₄ Thin Films

Exceptional Thermoelectric Performance of Cu₂(Zn,Fe,Cd)SnS₄ Thin Films

Reaction Mechanism of Nitrogen-Containing Heterocyclic Compounds Affecting Coal Spontaneous Combustion

Thermogravimetric/Thermal–Mass Spectroscopy Insight into Oxidation Propensity of Various Mechanochemically Made Kesterite Cu2ZnSnS4 Nanopowders

Contact Info

Product

Resources

About

XPS analysis and structural characterization of CZTS thin films deposited by one-step thermal evaporation

Cited by 15 publications

References 55 publications

Exceptional Thermoelectric Performance of Cu2(Zn,Fe,Cd)SnS4 Thin Films

Exceptional Thermoelectric Performance of Cu2(Zn,Fe,Cd)SnS4 Thin Films

Reaction Mechanism of Nitrogen-Containing Heterocyclic Compounds Affecting Coal Spontaneous Combustion

Thermogravimetric/Thermal–Mass Spectroscopy Insight into Oxidation Propensity of Various Mechanochemically Made Kesterite Cu2ZnSnS4 Nanopowders

Contact Info

Product

Resources

About

Exceptional Thermoelectric Performance of Cu₂(Zn,Fe,Cd)SnS₄ Thin Films

Exceptional Thermoelectric Performance of Cu₂(Zn,Fe,Cd)SnS₄ Thin Films