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First principle calculated thermal conductivity of perfect single crystal 3C-SiC.", + "bbox": [], + "page_idx": 0 + }, + { + "type": "image", + "img_path": "images/Supplementary_Figure_14.jpg", + "caption": "Supplementary Fig. 14. Calculated phonon properties of perfect 3C-SiC single crystal. a Phonon dispersion relation of 3C-SiC. b Accumulated thermal conductivity of perfect 3C-SiC single crystal at 300, 400, and 500 K. It shows the contributions of phonons with different mean free paths to the total thermal conductivity of perfect 3C-SiC single crystal.", + "bbox": [ + [ + 252, + 90, + 728, + 705 + ] + ], + "page_idx": 4 + }, + { + "type": "image", + "img_path": "images/Supplementary_Figure_15.jpg", + "caption": "Supplementary Fig. 15. 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"type": "image", + "img_path": "images/Figure_unknown_1.jpg", + "caption": "Figure S2: Fourier transformation of the HREM image showing the emergence of the extra peaks at the polar nanoregion.", + "bbox": [ + [ + 64, + 88, + 884, + 702 + ] + ], + "page_idx": 1 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_2.jpg", + "caption": "Figure S3: Results of EELS Mn L edge \\(\\mathrm{L}_3 / \\mathrm{L}_2\\) ratio fitting from a line scan data containing spectra from both polar and non-polar regions.", + "bbox": [ + [ + 124, + 88, + 875, + 423 + ] + ], + "page_idx": 2 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_3.jpg", + "caption": "Figure S4: Line-scan mono-chromated EELS spectra on the polar nanoregions. An obvious intensity increase and ELNES structure change can be observed.", + "bbox": [ + [ + 66, + 88, + 876, + 600 + ] + ], + "page_idx": 3 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_4.jpg", + "caption": "Figure S5: Results the EDX elemental mapping performed with STEM around the double-bilayer polar nanoregions. A clear deficiency of Ca and a surplus of Mn can be observed, while O and Sr do not show clear differences with the crystal matrix.", + "bbox": [ + [ + 115, + 88, + 884, + 425 + ] + ], + "page_idx": 4 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_5.jpg", + "caption": "Figure S6: (a-h) Symmetry-distinct Mn-dopant configurations for \\(\\mathrm{Ca_{2.5}Mn_{2.5}O_7}\\) . Blue, green, magenta, and red balls represent calcium, \\(\\mathrm{Mn4 + }\\) , \\(\\mathrm{Mn2 + }\\) , and oxygen atoms, respectively. The Mn-O-Mn bond angles shown are obtained from DFT+U-relaxed structures. The total energy of each structure computed from DFT+U is reported in Table S1. We find that configuration (a) has the lowest energy, and thus focus on this configuration in the main text. We note that we only consider one configuration with a Mn-dopant located on the A-site in the center of the perovskite bilayer (h) because this is much higher in energy than configurations with all Mn-dopants in the rocksalt layer (see Table S2).", + "bbox": [ + [ + 123, + 92, + 872, + 580 + ] + ], + "page_idx": 5 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_6.jpg", + "caption": "Figure S7: (a-e) Symmetry-distinct Mn-dopant configurations for \\(\\mathrm{Ca_{2.25}Mn_{2.75}O_7}\\) . Blue, green, magenta, and red balls represent calcium, \\(\\mathrm{Mn4 + }\\) , \\(\\mathrm{Mn2 + }\\) , and oxygen atoms, respectively. The Mn-O-Mn bond angles shown are obtained from DFT+U-relaxed structures. The total energy of each structure computed from DFT+U is reported in Table S3. We find that configuration (a) has the lowest energy, and thus focus on this configuration in the main text.", + "bbox": [ + [ + 225, + 88, + 772, + 571 + ] + ], + "page_idx": 6 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_7.jpg", + "caption": "Figure S8: Method for EELS Mn L edge \\(\\mathrm{L3 / L2}\\) ratio fitting. The background intensity is fitted with the power law and a step function and then subtracted. The peak position is then fitted with two gaussian peaks and the intensity of two peaks are integrated around the \\(\\mathrm{L3}\\) and \\(\\mathrm{L2}\\) peak positions.", + "bbox": [ + [ + 115, + 88, + 868, + 302 + ] + ], + "page_idx": 7 + } +] \ No newline at end of file diff --git a/fdf8a5d0779e58f715b3d1ec7a489af0ba19054e70d2d3212bfce606477b4049/peer_review/images_list.json b/fdf8a5d0779e58f715b3d1ec7a489af0ba19054e70d2d3212bfce606477b4049/peer_review/images_list.json new file mode 100644 index 0000000000000000000000000000000000000000..0637a088a01e8ddab3bf3fa98dbe804cbde1a0dc --- /dev/null +++ b/fdf8a5d0779e58f715b3d1ec7a489af0ba19054e70d2d3212bfce606477b4049/peer_review/images_list.json @@ -0,0 +1 @@ +[] \ No newline at end of file diff --git a/fdf8a5d0779e58f715b3d1ec7a489af0ba19054e70d2d3212bfce606477b4049/preprint/supplementaries/FigureS1/images_list.json b/fdf8a5d0779e58f715b3d1ec7a489af0ba19054e70d2d3212bfce606477b4049/preprint/supplementaries/FigureS1/images_list.json new file mode 100644 index 0000000000000000000000000000000000000000..0637a088a01e8ddab3bf3fa98dbe804cbde1a0dc --- /dev/null +++ b/fdf8a5d0779e58f715b3d1ec7a489af0ba19054e70d2d3212bfce606477b4049/preprint/supplementaries/FigureS1/images_list.json @@ -0,0 +1 @@ +[] \ No newline at end of file diff --git a/fdfcb866ad27e5673542d9d7e6271a145422a8e6b12112208e6880942e1a42b8/peer_review/images/Figure_unknown_0.jpg b/fdfcb866ad27e5673542d9d7e6271a145422a8e6b12112208e6880942e1a42b8/peer_review/images/Figure_unknown_0.jpg new file mode 100644 index 0000000000000000000000000000000000000000..e1d8f2976ac3ef16621e7ad3f6dff1d0ac7b1b8c --- /dev/null +++ b/fdfcb866ad27e5673542d9d7e6271a145422a8e6b12112208e6880942e1a42b8/peer_review/images/Figure_unknown_0.jpg @@ -0,0 +1,3 @@ +version https://git-lfs.github.com/spec/v1 +oid sha256:23e1343230a4d987050b196fc24e7b23c67bb6101d047e1d1efb637e14e75f88 +size 30859 diff --git a/fdfcb866ad27e5673542d9d7e6271a145422a8e6b12112208e6880942e1a42b8/peer_review/images_list.json b/fdfcb866ad27e5673542d9d7e6271a145422a8e6b12112208e6880942e1a42b8/peer_review/images_list.json new file mode 100644 index 0000000000000000000000000000000000000000..2c6717800e5615dc9132bcd5e3752aad45fbc456 --- /dev/null +++ b/fdfcb866ad27e5673542d9d7e6271a145422a8e6b12112208e6880942e1a42b8/peer_review/images_list.json @@ -0,0 +1,51 @@ +[ + { + "type": "image", + "img_path": "images/Figure_4.jpg", + "caption": "Fig. 4 c Flexible fitting of the AF2 predicted trypsinogen model in the subtracted extra density. d Depiction showing the zoom in view of the N-terminal tail of trypsinogen located in the catalytic triad of hEP. 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(Figure S27, S28) Stability of the control, PEDAI, and PZDI passivated HPSCs (corresponding to Figure 6); stability monitoring a) operational tracking under MPPT conditions: T=60 \\(\\pm 5^{\\circ}\\mathrm{C};30 - 35\\%\\) RH (ISOS-L-2, procedure) and b) \\(\\mathrm{T} = 35 \\pm 5^{\\circ}\\mathrm{C}\\) ; RH \\(\\sim 60 - 65\\%\\) (ISOS-L-3, procedure).", + "bbox": [], + "page_idx": 0 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_0.jpg", + "caption": "Figure R2. Photo of mixed HP precursor [ a1) PEDAI or b1) PZDI and HaP/mixed precursor]. a2, b2) XRD patterns of PbI2 film, HP film surface treated with PEDAI or PZDI (dissolved 2 mg/ml in IPA), HP film with mixed PEDAI or PZDI, and power crystal prepared by mixing PbI2 and PEDAI or PZDI", + "bbox": [ + [ + 117, + 654, + 852, + 831 + ] + ], + "page_idx": 6 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_1.jpg", + "caption": "Figure R3. Cross-sectional HR-TEM image of \\(\\mathrm{C_{60} / H a P}\\) top surface (a,b,c) with 2D phase interface on the surface of 3D-HP with diffusion through grain boundaries to some extent. (Figure S15)", + "bbox": [ + [ + 147, + 241, + 849, + 406 + ] + ], + "page_idx": 8 + }, + { + "type": "image", + "img_path": "images/Figure_4.jpg", + "caption": "Figure R4. Analysis of single crystal obtained by adopting the method as depicted in Figure 4. (a1) simulated PXRD result of crystal (insets are optical image, dimension, and composition: (PZDI)2(PbI4)2. 6DMSO) grown in precursor solution (mixing PZDI and PbI2 in 2:1 molar ratio), (a2) simulated crystal unit, (a3) Packing diagram. (b1-b3) corresponding results and properties of crystal sample of (PZDI)3Pb2I7. 6DMSO grown in precursor solution (mixing PZDI and PbI2 in a 1:1 molar ratio).", + "bbox": [ + [ + 120, + 83, + 888, + 393 + ] + ], + "page_idx": 9 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_2.jpg", + "caption": "Figure R5. XRD spectrum at different tilt angles for the control (a), PEDAI (b), and PZDI (c) devices, respectively. Residual strain extracted from the corresponding HPSC device' diffraction strain data as a function of \\(\\sin^2\\psi\\) .", + "bbox": [ + [ + 120, + 608, + 878, + 738 + ] + ], + "page_idx": 10 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_3.jpg", + "caption": "Figure R6. GIXRD spectra: the control (a, d), PEDAI (b. e), and PZDI (c, f). The plot of penetration depth corresponds to the grazing incident angle. The X-ray attenuation length (penetration depth) into the perovskite film (estimated density \\(\\sim 3.86 \\mathrm{gcm}^{-3}\\) ) was calculated using a report by Davis and co-workers ( Atomic Data and Nuclear Data Tables, 1993, 54, 181-342) and Rigaku-manual.", + "bbox": [ + [ + 137, + 82, + 857, + 512 + ] + ], + "page_idx": 11 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_4.jpg", + "caption": "Figure R7: Figure S7. Statistics of PV characteristic parameters of control and PEDAI treated HPSCs, including \\(V_{OC}\\) , \\(J_{SC}\\) , \\(FF\\) , and \\(PCE\\) . These data consist of 30 devices from 4 batches.", + "bbox": [ + [ + 120, + 181, + 820, + 459 + ] + ], + "page_idx": 13 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_5.jpg", + "caption": "Figure R8: Statistics of PV characteristic parameters of control and PZDI-treated HPSCs, including \\(V_{OC}\\) , \\(J_{SC}\\) , \\(FF\\) , and \\(PCE\\) . These data consist of 30 devices from 4 batches.", + "bbox": [ + [ + 115, + 563, + 838, + 850 + ] + ], + "page_idx": 14 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_6.jpg", + "caption": "Figure R9: The optimized structures of a free 1,4-phenylenediamine dihydridoide (PEDAI), \\(\\mathrm{C_6H_8N_2^*2HI}\\) , molecule. (a) The most stable trans-isomer structure, and (b) the low-energy cis-isomer form. Mulliken charges or Mulliken charges with summed H (iodine and nitrogen atoms) were calculated at the B3LYP/def2TZVP level of theory with the use of Gaussian 09.17", + "bbox": [ + [ + 120, + 465, + 850, + 750 + ] + ], + "page_idx": 14 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_7.jpg", + "caption": "Figure R10: The optimized structure of a free piperazine dihydridoide (PZDI), C₄H₁₀N₂\\*2HI, molecule. Mulliken charges were calculated at the B3LYP/def2TZVP level of theory with the use of Gaussian 09.", + "bbox": [ + [ + 137, + 137, + 858, + 345 + ] + ], + "page_idx": 17 + }, + { + "type": "image", + "img_path": "images/Figure_unknown_8.jpg", + "caption": "Figure R11: (a, b) Optical models for HPSCs reported by Fujiwara et al. (J. Appl. Phys. 2016,120, 064505) (a, b). This EQE analysis shows the effect of the HTL layer and dead layer (interface layer on the top of 3D-perovskite). 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