Excellent high-temperature mechanical properties of Ni-based single-crystal superalloys (NSCSs) are attributed to the yield strength anomaly ${\mathrm{Ni}}_{3}\mathrm{Al}$ that is intimately related generalized stacking fault energies (GSFEs). Therefore, clarifying effects alloying elements on GSFEs great significance for alloys design. Here, by means ab initio density functional theory calcula...

The lack of highly efficient, inexpensive catalysts severely hinders the large-scale application electrochemical energy conversion technologies (e.g., hydrogen evolution reaction (HER) for production, metal–air batteries (Cathode: oxygen reduction (ORR))). As a new class nanomaterials with high ratio surface atoms and tunable composition electronic structure, metal nanocluster (NCs) are promisi...