This paper reports a numerical research on MEMS (microelectromechanical system) micronozzles through multiphysics coupling simulation along with design optimization based on simulation results. The micronozzle, which is a core component of the electrothermal microthruster, features a micron-scale geometry, a 2-dimensional (2D) Laval configuration, a rectangular cross section, and a highly thermal conductive silicon wall due to MEMS fabrication. As a result, viscous loss in the flow field and heat transfer to the nozzle wall can strongly influence nozzle performance, namely, thrust force and specific impulse. To accurately understand the flow field inside the micronozzle and how the highly thermal conductive silicon wall interacts with gas flow, a numerical simulation that couples fluid dynamics field and solid heat transfer field is employed in the research. The influence of different structural parameters on micronozzle performance is then investigated to set a basis for design optimization. The optimum design of the linear expander micronozzle is obtained through constrained optimization by linear approximation. To further improve micronozzle performance, the bell-shaped expander is adapted. The optimization result shows that the bell-shaped expander is not suitable for micronozzle featuring 2D Laval configuration, and the reason behind the phenomenon is thoroughly discussed.