Coinage metalides: a new class of excess electron compounds with high stability and large nonlinear optical responses

2020 ◽  
Vol 22 (16) ◽  
pp. 8476-8484
Author(s):  
Xiang-Hui Li ◽  
Xiao-Ling Zhang ◽  
Qiao-Hong Chen ◽  
Li Zhang ◽  
Jing-Hua Chen ◽  
...  

A new class of NLO molecules, termed coinage metalides, was designed by using coinage metal atoms as excess electron acceptors.

2017 ◽  
Vol 56 (8) ◽  
pp. 4594-4600 ◽  
Author(s):  
Wei-Ming Sun ◽  
Xiang-Hui Li ◽  
Juan Wu ◽  
Jian-Ming Lan ◽  
Chun-Yan Li ◽  
...  

2015 ◽  
Vol 17 (6) ◽  
pp. 4524-4532 ◽  
Author(s):  
Wei-Ming Sun ◽  
Di Wu ◽  
Ying Li ◽  
Jia-Yuan Liu ◽  
Hui-Min He ◽  
...  

A series of novel excess electron compounds M(NH3)6NaCl and M(NH3)6Na2 (M = Mg and Ca) were designed, in which the lowest-energy M(NH3)6Na2 compounds are the first alkalides containing double alkali metal anions.


2020 ◽  
Vol 44 (16) ◽  
pp. 6411-6419
Author(s):  
Xiang-Hui Li ◽  
Li Zhang ◽  
Xiao-Ling Zhang ◽  
Bi-Lian Ni ◽  
Chun-Yan Li ◽  
...  

New Ca+-1-M′− (M′ = Li, Na, and K) compounds with typical alkalide features and electride-like characteristics have been obtained.


2017 ◽  
Vol 36 (17) ◽  
pp. 3352-3359 ◽  
Author(s):  
Wei-Ming Sun ◽  
Bi-Lian Ni ◽  
Di Wu ◽  
Jian-Ming Lan ◽  
Chun-Yan Li ◽  
...  

2020 ◽  
Vol 44 (23) ◽  
pp. 9822-9829 ◽  
Author(s):  
Faizan Ullah ◽  
Khurshid Ayub ◽  
Tariq Mahmood

Electrides are excess electron compounds with excellent nonlinear optical properties.


2017 ◽  
Vol 19 (35) ◽  
pp. 23951-23959 ◽  
Author(s):  
Bo Li ◽  
Chao Xu ◽  
Xuan Xu ◽  
Chaoyuan Zhu ◽  
Feng Long Gu

Newly theoretically designed alkali-doped aziridine M–(C2NH5)4 shows a remarkable NLO response and its first hyperpolarizability is 10 to 100 times larger than those of M@Calix[4]pyrrole.


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