Inorganic semiconductorsInorganic semiconductor figure prominently in many currentCurrent technologies, and they will play an important role in enabling a host of future applicationsApplication. Since many of the beneficial properties of these materials arise from their morphologyMorphology, achieving morphologyMorphology control is important yet still elusive in many instances. Progress with experimentalExperimental techniques, particularly those based on field emissionEmission-scanning electron microscopyField emission-scanning electron microscopy, and similarly, theoretical developmentsTheoretical developments provide deep insight on the mechanisms for achieving a selected morphologyMorphology. The confluence of theory, experiment, and applicationsApplication increases our capacity to describe the exposed surfacesSurface at the morphologyMorphology and provides new views into restructuring and morphologyMorphology transformationTransformation mechanismsTransformation mechanism. In particular, the morphologyMorphology of metal oxide semiconductorsMetal oxide semiconductor could leadLead to significant progress in advancing new applicationsApplication along numerous frontsFirst-principles. First-principles calculationsFirst-principles calculations, based on the joint use of the density functional theoryDensity Functional Theory (DFT) calculations and Wulff constructionWulff construction, were performed to investigate the surface structuresSurface structure, electronicElectronic and magnetic propertiesMagnetic properties ofAg-based semiconductors Ag-based semiconductorsSemiconductor (Ag2MoO4, Ag2CrO4, Ag2WO4, and Ag2O). An equilibrium Wulff constructionEquilibrium Wulff construction using absolute surface energiesAbsolute surface energies for various orientations is conducted to elucidate the morphological evolution. The calculated results manifest that this approach is capable of matching the experimentalExperimental and theoretical morphologiesTheoretical morphologies, and a relationship among morphologyMorphology, photocatalyticPhotocatalytic, and antimicrobial activity is achieved through a careful analysis of the coordination environmentCoordination environment surrounding the surfaceSurface metalsMetal in the morphologyMorphology. Therefore, it is expected that the calculations can provide valuable hints for improving the performancePerformance of metal oxide semiconductorsMetal oxide semiconductor.