title: Persistent Luminescence Hole-Type Materials by Design: Transition-Metal-Doped Carbon Allotrope and Carbides.
abstract: Electron traps play a crucial role in a wide variety of compounds of persistent luminescence (PL) materials. However, little attention has been placed on the hole-trap-type PL materials. In this study, a novel hole-dominated persistent luminescence (PL) mechanism is predicted. The mechanism is validated in the night pearl diamond (NPD) composed of lonsdaleite with ultralong persistent luminescence (PL) (more than 72 h). The computed band structures suggest that the Fe ion dopant in lonsdaleite is responsible for the luminescence of NPD due to the desired defect levels within the band gap for electronic transition. Other possible impurity defects in lonsdaleite, such as K, Ca, Mg, Zn, or Tl dopants, or C vacancy can also serve as the hole-trap centers to enhance the PL. Among other 3d transition-metal-ion dopants considered, Cr and Mn ions are predicted to give rise to PL property. The predicted PL mechanism via transition-metal doping of lonsdaleite offers an exciting opportunity for engineering new PL materials by design.
authors: Laboratory of Amorphous Materials, School of Materials Science and Engineering, Hefei University of Technology , Hefei, Anhui 230009, P. R. China.
authors: Bingyan
authors: B
authors: Qu
authors: Laboratory of Amorphous Materials, School of Materials Science and Engineering, Hefei University of Technology , Hefei, Anhui 230009, P. R. China.
authors: Bo
authors: B
authors: Zhang
authors: Laboratory of Amorphous Materials, School of Materials Science and Engineering, Hefei University of Technology , Hefei, Anhui 230009, P. R. China.|Faculty of Applied Sciences, Delft University of Technology , Mekelweg15, 2629 JB Delft, The Netherlands.
authors: Lei
authors: L
authors: Wang
authors: Laboratory of Amorphous Materials, School of Materials Science and Engineering, Hefei University of Technology , Hefei, Anhui 230009, P. R. China.
authors: Rulong
authors: R
authors: Zhou
authors: Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln , Lincoln, Nebraska 68588, United States.|Hefei National Laboratory for Physical Sciences at Microscale and Collaborative Innovation Center of Chemistry for Energy Materials, University of Science and Technology of China , Hefei, Anhui 230026, China.
authors: Xiao Cheng
authors: XC
authors: Zeng
authors: State Key Laboratory of Automotive Safety and Energy, Tsinghua University , Beijing 100084, China.
authors: Liang
authors: L
authors: Li
keywords: defects; diamond; first-principle calculation; hexagonal diamond; long afterglow; lonsdaleite; luminescence; transition metals