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Novel Chain and Ribbon ZnO Nanoporous Crystalline Phases in Cubic Lattice
Author(s) -
Tuoc Vu Ngoc,
Thao Nguyen Thi,
Lien Le Thi Hong,
Liem Phan Thanh
Publication year - 2021
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.202100067
Subject(s) - ribbon , nanoporous , tetragonal crystal system , materials science , cubic crystal system , lattice (music) , cluster (spacecraft) , nanotechnology , porosity , cage , crystallography , crystal structure , chemical physics , composite material , chemistry , computer science , physics , combinatorics , mathematics , acoustics , programming language
The chain‐ and ribbon‐like structural hierarchies are used to design two nanoporous polymorphs composed of only four‐member and six‐member rings of ZnO as primary building blocks in cubic lattice frameworks. Specifically, the bottom‐up polymeric assembly of these small simple clusters into high cubic symmetric phases is considered, with energetic, dynamic, and mechanical stabilities proven by density‐functional‐based calculations. Both phases are rivaling with those of known cage‐like nanoporous polymorphs in many porous characteristics while preserving an intrinsic wide bandgap from ZnO tetragonal bonding. Furthermore, the design scheme is feasible to apply with different morphology motifs or extend to more cluster prototypes and materials.