A comparison study of the structural, electronic, elastic, dielectric and dynamical properties of Zr-based monolayer dioxides (ZrO2) and dichalcogenides (ZrX2; X = S, Se or Te) as well as their Janus structures (ZrXY; X, Y = O, S, Se or Te, <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si1.svg"> <mml:mrow> <mml:mtext>Y</mml:mtext> <mml:mo linebreak="goodbreak" linebreakstyle="after">≠</mml:mo> <mml:mtext>X</mml:mtext> </mml:mrow> </mml:math> )
Yan Zhang
Topics & Concepts
MonolayerIonic radiusMaterials scienceCrystallographyBond lengthIonic bondingJanusIonDielectricValence (chemistry)Covalent bondChemistryNanotechnologyCrystal structureOptoelectronicsOrganic chemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsInorganic Chemistry and Materials