Quantum Effect Enables Large Elastocaloric Effect in Monolayer MoSi2N4${\rm MoSi}_2{\rm N}_4$ and Graphene

Abstract Low‐dimensional materials with outstanding heat conductivity and elastocaloric effect (eCE) are significant for environmentally friendly and energy‐efficient nano refrigerators. However, most of elastocaloric materials with first/second‐order phase transition suffer from hysteresis loss. Herein, an emerging monolayer is theoretically demonstrated as a promising candidate, which exhibits no hysteresis loss enabled by reversible elastic response, as well as large eCE and high eC strength enabled by quantum effect (QE). Considering the remarkable influence of QE and thermo‐mechanical coupling (TMC) in the monolayer limit, the adiabatic temperature change () is evaluate by incorporating QE and TMC. Molecular dynamics simulation significantly underestimates , whereas method with QE slightly overestimates when compared to method with QE+TMC. At 300 K, of is –(11–42) K under biaxial tensile forces of 26–84 nN. The elastocaloric coefficients are –(0.3–0.9) , comparable to that of armchair carbon nanotubes. A large eCE ( around 15 K under a biaxial tensile load of 35 nN) is also revealed for graphene by incorporating QE and TMC. This study proposes a more comprehensive method for quantitatively predicting eCE in 2D materials by including QE and TMC, offering a theoretical guideline for refrigerating materials in the monolayer limit.