TY - JOUR
T1 - Janus GaOClX (X = F, Br, and I) monolayers as predicted using first-principles calculations: a novel class of nanodielectrics with superior energy storage properties
AU - Jiang, Shujuan
AU - Zheng, Guangping
N1 - Publisher Copyright:
© 2023 The Royal Society of Chemistry
PY - 2023/7/14
Y1 - 2023/7/14
N2 - Dielectric materials play an important role in devices for energy conversion and storage. Based on first-principles calculations, novel two-dimensional Janus GaOClX (X = F, Br, and I) monolayers with superior energy storage properties are predicted. They are indirect-bandgap semiconductors with bandgaps in the range of 2.18-4.36 eV, and possess anisotropic carrier mobility, strong mechanical flexibility, and excellent out-of-plane piezoelectricity. More importantly, it is found that the GaOCl monolayer and Janus GaOClX monolayers could exhibit an ultrahigh energy storage density (as high as 893.32 J cm−3) comparable to those of electrochemical supercapacitors and batteries, unparalleled by other dielectric materials reported to date. This work opens up a new window in searching for novel dielectric materials, which could be used in dielectric capacitors with superior energy storage density and power density, excellent efficiency and thermal stability.
AB - Dielectric materials play an important role in devices for energy conversion and storage. Based on first-principles calculations, novel two-dimensional Janus GaOClX (X = F, Br, and I) monolayers with superior energy storage properties are predicted. They are indirect-bandgap semiconductors with bandgaps in the range of 2.18-4.36 eV, and possess anisotropic carrier mobility, strong mechanical flexibility, and excellent out-of-plane piezoelectricity. More importantly, it is found that the GaOCl monolayer and Janus GaOClX monolayers could exhibit an ultrahigh energy storage density (as high as 893.32 J cm−3) comparable to those of electrochemical supercapacitors and batteries, unparalleled by other dielectric materials reported to date. This work opens up a new window in searching for novel dielectric materials, which could be used in dielectric capacitors with superior energy storage density and power density, excellent efficiency and thermal stability.
UR - http://www.scopus.com/inward/record.url?scp=85167442567&partnerID=8YFLogxK
U2 - 10.1039/d3cp02410e
DO - 10.1039/d3cp02410e
M3 - Journal article
C2 - 37522224
AN - SCOPUS:85167442567
SN - 1463-9076
VL - 25
SP - 20854
EP - 20862
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 31
ER -