Surface-binding molecular multipods strengthen the halide perovskite lattice and boost luminescence.

Reducing the size of perovskite crystals to confine excitons and passivating surface defects has fueled a significant advance in the luminescence efficiency of perovskite light-emitting diodes (LEDs). However, the persistent gap between the optical limit of electroluminescence efficiency and the photoluminescence efficiency of colloidal perovskite nanocrystals (PeNCs) suggests that defect passivation alone is not sufficient to achieve highly efficient colloidal PeNC-LEDs. Here, we present a materials approach to controlling the dynamic nature of the perovskite surface.

Structural and magnetic properties of a defective graphene buffer layer grown on SiC(0001): a DFT study.

Understanding the role of defects in the magnetic properties of the graphene buffer layer (BL) grown on substrates should be important to provide hints for manufacturing future graphene-based spintronic devices in a controlled fashion. Herein, density functional theory was applied to assess the structure and magnetic properties of defective BL on 6H-SiC(0001). Particularly, we conducted a thorough study of one and two vacancies and Stone-Wales defects in the BL.

Unraveling the electromagnetic structure of the epitaxial graphene buffer layer.

We have employed density functional theory to study the structural, electronic and magnetic properties of the first all-carbon layer grown epitaxially on 6H-SiC(0 0 0 1). Using VDW-DF, M06-L, LSDA, LSDA+U, PBE and PBE-D2 methods we have performed a comparative study of the preferable magnetic configuration of the system. In this work, for the first time, we report a stable antiferromagnetic (AF) ordering in the buffer layer caused by the presence of silicon dangling bonds in the SiC top layer.