Journal: Nature Communications
Article Title: Vacancy driven surface disorder catalyzes anisotropic evaporation of ZnO (0001) polar surface
doi: 10.1038/s41467-022-33353-2
Figure Lengend Snippet: a STEM-HAADF image showing the (0001) surface covered by quasi-liquid layer at 300 °C. b , Composite image constructed by selecting EELS Zn-L 2,3 and O-K edges. The region marked by I, II, III and IV indicates the bulk ZnO, subsurface Zn 1- x O, the quasi-liquid layer and vacuum, respectively. c Averaged composition profiles of Zn and O from the white lined box in a and b obtained by quantification of EELS data (solid symbols). The composition profiles obtained by quantification STEM EDS data by using Zn-K α and O-K α peaks are included (open symbols). For more details, refer to Supplementary Fig. and Supplementary Note . Both EELS and EDS results consistently show that the quasi-liquid layer (region III) and subsurface (region II) are deficient of Zn, of which averaged Zn:O ratio is 0.2:0.8 and 0.4:0.6, respectively. The vacuum area with noise signal in b and c are shaded. d Atomic model depicting the calculated Zn and O desorption energy for the (0001), \documentclass[12pt]{minimal}
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\begin{document}$$(10\bar{1}0)$$\end{document} ( 10 1 ¯ 0 ) surfaces. Grey and red circles represent Zn and O, respectively. The desorption energies are calculated by applying the density functional theory (DFT) at 0 K. e Energy variation of V Zn along the diffusion path from the ((0001), \documentclass[12pt]{minimal}
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\begin{document}$$(10\bar{1}0)$$\end{document} ( 10 1 ¯ 0 ) surface towards the inner layers indicated as the solid arrow in d , which are calculated by the nudged elastic band method. Solid circles connected by solid line are the relative energy of the relaxed structure with V Zn on each layer; open circles connected by dash line are the energy variations in the transient structures.
Article Snippet: STEM EELS Zn-L 2,3 and O-K edges were obtained at 300 kV using an EEL spectrometer (Gatan GIF Quantum ER 965, USA) with an energy resolution of 0.7 eV.
Techniques: Construct, Functional Assay, Diffusion-based Assay
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![a STEM-HAADF image showing the (0001) surface covered by quasi-liquid layer at 300 °C. b , Composite image constructed by selecting EELS Zn-L 2,3 and O-K edges. The region marked by I, II, III and IV indicates the bulk ZnO, subsurface Zn 1- x O, the quasi-liquid layer and vacuum, respectively. c Averaged composition profiles of Zn and O from the white lined box in a and b obtained by quantification of EELS data (solid symbols). The composition profiles obtained by quantification STEM EDS data by using Zn-K α and O-K α peaks are included (open symbols). For more details, refer to Supplementary Fig. and Supplementary Note . Both EELS and EDS results consistently show that the quasi-liquid layer (region III) and subsurface (region II) are deficient of Zn, of which averaged Zn:O ratio is 0.2:0.8 and 0.4:0.6, respectively. The vacuum area with noise signal in b and c are shaded. d Atomic model depicting the calculated Zn and O desorption energy for the (0001), \documentclass[12pt]{minimal}
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\begin{document}$$(10\bar{1}0)$$\end{document} ( 10 1 ¯ 0 ) surfaces. Grey and red circles represent Zn and O, respectively. The desorption energies are calculated by applying the density functional theory (DFT) at 0 K. e Energy variation of V Zn along the diffusion path from the ((0001), \documentclass[12pt]{minimal}
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\begin{document}$$(10\bar{1}1)$$\end{document} ( 10 1 ¯ 1 ) , and \documentclass[12pt]{minimal}
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\begin{document}$$(10\bar{1}0)$$\end{document} ( 10 1 ¯ 0 ) surface towards the inner layers indicated as the solid arrow in d , which are calculated by the nudged elastic band method. Solid circles connected by solid line are the relative energy of the relaxed structure with V Zn on each layer; open circles connected by dash line are the energy variations in the transient structures.](https://pub-med-central-images-cdn.bioz.com/pub_med_central_ids_ending_with_9323/pmc09509323/pmc09509323__41467_2022_33353_Fig3_HTML.jpg)
