Theoretical insights and design of intriguing nonlinear optical species involving the excess electron
G Yu, X Huang, S Li, W Chen - International Journal of …, 2015 - Wiley Online Library
Nonlinear optical (NLO) materials have been widely investigated in view of the applications
in optoelectronic devices, and so forth. Recently, it is revealed that the species involving the …
in optoelectronic devices, and so forth. Recently, it is revealed that the species involving the …
Do** superalkali on Zn12O12 nanocage constitutes a superior approach to fabricate stable and high-performance nonlinear optical materials
Fabrication of stable nonlinear optical materials is highly demanding due to their
widespread applications in optical and optoelectronic devices. Novel inorganic complexes …
widespread applications in optical and optoelectronic devices. Novel inorganic complexes …
A theoretical study on superalkali-doped nanocages: unique inorganic electrides with high stability, deep-ultraviolet transparency, and a considerable nonlinear …
WM Sun, XH Li, D Wu, Y Li, HM He, ZR Li… - Dalton …, 2016 - pubs.rsc.org
By do** an Al12N12 nanocage with superalkali Li3O, a series of Li3O@ Al12N12
compounds were theoretically designed and investigated for the first time. Computational …
compounds were theoretically designed and investigated for the first time. Computational …
A theoretical investigation on do** superalkali for triggering considerable nonlinear optical properties of Si12C12 nanostructure
Z Lin, T Lu, XL Ding - Journal of Computational Chemistry, 2017 - Wiley Online Library
In this work, we designed a series of superalkali‐doped Si12C12 nanocage M3O@
Si12C12 (M= Li, Na, K) with donor–acceptor framework. Density functional theory …
Si12C12 (M= Li, Na, K) with donor–acceptor framework. Density functional theory …
Design of a novel series of donor–acceptor frameworks via superalkali–superhalogen assemblage to improve the nonlinear optical responses
A Omidvar - Inorganic Chemistry, 2018 - ACS Publications
Presently, many researches are directed toward the design of novel superatoms with high
nonlinear optical responses. Inspired by a fascinating finding of superatoms which were …
nonlinear optical responses. Inspired by a fascinating finding of superatoms which were …
How does hybrid bridging core modification enhance the nonlinear optical properties in donor‐π‐acceptor configuration? A case study of dinitrophenol derivatives
This study spotlights the fundamental insights about the structure and static first
hyperpolarizability (β) of a series of 2, 4‐dinitrophenol derivatives (1–5), which are designed …
hyperpolarizability (β) of a series of 2, 4‐dinitrophenol derivatives (1–5), which are designed …
Nonlinear optical response of first-row transition metal doped Al12P12 nanoclusters; a first-principles study
The influence of first-row transition metals on structural, electronic, and nonlinear optical
(NLO) properties of aluminum phosphide (Al 12 P 12) inorganic fullerene is investigated …
(NLO) properties of aluminum phosphide (Al 12 P 12) inorganic fullerene is investigated …
A theoretical study of alkaline-earthides Li(NH3)4M (M = Be, Mg, Ca) with large first hyperpolarizability
L Zhu, K Xue, J Hou - Journal of molecular modeling, 2019 - Springer
With the aid of ab initio calculations at the MP2 level of theory, a novel type of alkaline-
earthides, namely Li (NH 3) 4 M (M= Be, Mg, Ca), has been theoretically designed and …
earthides, namely Li (NH 3) 4 M (M= Be, Mg, Ca), has been theoretically designed and …
A systematic study of the structure–property relationship of a series of nonlinear optical (NLO) julolidinyl-based chromophores with a thieno [3, 2-b] thiophene moiety
A Zhang, H **ao, S Cong, M Zhang, H Zhang… - Journal of Materials …, 2015 - pubs.rsc.org
A series of nonlinear optical (NLO) chromophores a–d bearing thieno [3, 2-b] thiophene (TT)
as the conjugated bridge or the lateral moiety have been synthesized and investigated …
as the conjugated bridge or the lateral moiety have been synthesized and investigated …
Theoretical investigation on nonlinear optical properties of carbon nanotubes with Stone–Wales defect rings
ZJ Zhou, GT Yu, F Ma, XR Huang, ZJ Wu… - Journal of Materials …, 2014 - pubs.rsc.org
Based on (6, 0) zigzag carbon nanotubes (ZCNTs), a Stone–Wales defect ring ([5.7] 3) is
constructed at one end of the ZCNTs, forming a novel nanostructure [5.7] 3ZCNT. The …
constructed at one end of the ZCNTs, forming a novel nanostructure [5.7] 3ZCNT. The …