Xiaojuan Ni

Oct 2, 2024 | pubs.rsc.org | Zilin Wang |Hong Du |Austin Evans |Xiaojuan Ni

Growth of Two-Dimensional Covalent Organic Frameworks on Substrates: Insight from Microsecond Atomistic Simulations While growing two-dimensional covalent organic frameworks (2D COFs) on substrates holds promise for producing functional monolayers, the presence of many defects in the resulting crystals often hinders their practical applications. Achieving structural order while suppressing defect formation necessitates a detailed atomic-level understanding.

Apr 13, 2023 | pubs.rsc.org | Xiaojuan Ni |Sadisha Nanayakkara

Impact of Organic-Inorganic Wavefunction Delocalization on the Electronic and Optical Properties of One-Dimensional Hybrid Perovskites Xiaojuan Ni, Sadisha Nanayakkara, Hong Li and Jean-Luc Bredas Abstract Low-dimensional hybrid organic-inorganic perovskites have attracted a great deal of interest thanks to their high compositional and structural flexibilities that induce distinctive optoelectronic properties, for instance for light-emitting and photovoltaic applications. Here, we study at...