Outstanding thermal conductivity and mechanical properties in the direct gap semiconducting penta-NiN2 monolayer confirmed by first-principles

Bohayra Mortazavi, Xiaoying Zhuang, Timon Rabczuk, Alexander V. Shapeev

2022Physica E Low-dimensional Systems and Nanostructures22 citationsDOI

Topics & Concepts

MonolayerNanosheetMaterials scienceBand gapSemiconductorThermal stabilityDirect and indirect band gapsBulk modulusElectronic band structureLattice (music)Electronic structureThermal conductivityNanotechnologyCondensed matter physicsCrystallographyChemistryComposite materialOptoelectronicsPhysicsAcousticsOrganic chemistryMXene and MAX Phase MaterialsMachine Learning in Materials Science2D Materials and Applications