SUPPORTING INFORMATION Facet-Specific Assembly of Proteins on SrTiO3 Polyhedral Nanocrystals Lingqing Dong1,2,†, Qi Luo3,†, Kui Cheng1,†, Hui Shi3, Qi Wang3, Wenjian Weng1,4, 1 ★ & Wei-Qiang Han2, ★ Department of Materials Science and Engineering, State Key Laboratory of Silicon Materials, Cyrus Tang Center for Sensor Materials and Applications, Zhejiang University, Hangzhou 310027, China. 2 Ningbo Institute of Materials Technology & Engineering, Chinese Academy of Sciences, Ningbo 315210, China. 3 Soft Matter Research Center and Department of Chemistry, Zhejiang University, Hangzhou 310027, China. 4 Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China. ★ Correspondence and requests for materials should be addressed to: wengwj@zju.edu.cn and hanweiqiang@nimte.ac.cn 1 Supplementary Figure S1. SEM images (A-D) and the corresponding statistical data for the size of SrTiO3 nanocrystals (E-H) synthesized with morphology evolution from cube to truncated rhombic dodecahedron upon increasing the amount of 1,3-propanediol added: (A) 0 ml, (B) 1 ml, (C) 3 ml and (D) 5 ml. Scale bars in (A-D), 200 nm. At least 100 particles per sample were counted to obtain the average size. 2 Supplementary Figure S2. TEM characterizations of typical morphology of SrTiO3 cube and truncated rhombic dodecahedron. SEAD patterns (A, C) recorded from the corresponding single nanocrystal (insets) viewed along [001] and [001] orientation, respectively and their corresponding high-resolution TEM (HRTEM) images (B, D). The insets in (B) and (D) are the corresponding Fast-Fourier-transform-filtered (FFT) patterns. 3 Supplementary Figure S3. XRD patterns of different SrTiO3 nanocrystals. A standard XRD pattern of SrTiO3 is also provided. 4 Supplementary Figure S4. Optimal density (OD) values of salmine protein solutions: original protein solution without addition of nanocrystals before (A) and after (B) centrifugation, (C) the supernatant of protein solution with addition of nanocrystals after centrifugation. The absorbance (OD) values are measured by using bicinchoninic acid assay (BCA) reagent at 560 nm. 5 Supplementary Figure S5. (A) Low-magnification SEM image of truncated rhombic dodecahedra SrTiO3 nanocrystals after adsorption of salmine, as indicated by the arrow head. (B) HRTEM image recorded from the boxed region of top right inset shows that the protein adsorb on (100) facet. The bottom right inset shows the FFT pattern recorded from the corresponding rectangular area. (C) High angle annular dark field scanning transmission electron microscopy (HAADF-STEM) image of the same typical nanocrystal with protein adsorption in (B) and a line scan EDS profile (D) along the arrow. From the line scan EDS profile (D), the signal intensities of U and N elements increase first then decrease at the interfaces further demonstrates the protein adsorption. The protein was stained by uranyl acetate (UA, 1%) after adsorption for TEM. 6 Supplementary Figure S6. Surface atomic structures of (100) and (110) facets. HAADF (A, C) and the corresponding Bright-field (B, D) images of the typical edge of the surface-reconstructed (100) and (110) surfaces, along [001] and [1-10], respectively. 7 εi (kJ/mol) σi ( nm) qi (e) Sr 0.36227 0.33943 1.331 Ti 0.00601 0.34467 2.662 O 0.07361 0.36819 -1.331 Atom Supplementary Table S1. Lennard-Jones parameters and atomic charges of SrTiO3 surfaces used in this work. 8