Facet engineering to expose specific surfaces has received rapid growth attention to promote the photocatalytic performance. In this work, we reported that BaZrO3 nanocrystals with {001}/{011} facets and corresponding higher reducing capacity could effectively improve the photocatalytic hydrogen evolution in pure water. The tuned electronic band structure arising from exposed specific {001}/{011} facets and the higher surface area are the main reasons to promote photocatalytic activity. The conduction band bottom for BaZrO3 nanocrystals with {001}/{011} facets synthesized by solvothermal method (denoted as BZO-HT) is about 0.31eV higher than that of sample prepared by hydrothermal reaction (denoted as BZO-H). During the evaluation of photocatalytic activity in pure water, the H-2 production rate for BZO-HT (27.80mol/g/h) is 9.4 times and six times higher than BZO-H and commercial BaZrO3 (denoted as BZO-C), respectively. This work provides a reference for other facets-related photocatalysts' design for pure water reduction or splitting.