Alkali metal doping effect on static first hyperpolarizabilities of PMI chains

2011 ◽  
Vol 130 (4-6) ◽  
pp. 727-737 ◽  
Author(s):  
Ling Zhi Kang ◽  
Talgat Inerbaev ◽  
Bernard Kirtman ◽  
Feng Long Gu
2021 ◽  
Author(s):  
Ammarah Kausar ◽  
Abdul Sattar ◽  
Chenzhe Xu ◽  
Suicai Zhang ◽  
Zhuo Kang ◽  
...  

Metal–halide hybrid perovskites have prompted the prosperity of the sustainable energy field and simultaneously demonstrated their great potential in meeting both the growing consumption of energy and the increasing social development requirements.


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Azam Marjani ◽  
Mehdi Ghambarian ◽  
Mohammad Ghashghaee

AbstractBlack phosphorus nanostructures have recently sparked substantial research interest for the rational development of novel chemosensors and nanodevices. For the first time, the influence of alkali metal doping of black phosphorus monolayer (BP) on its capabilities for nitrogen dioxide (NO2) capture and monitoring is discussed. Four different nanostructures including BP, Li-BP, Na-BP, and K-BP were evaluated; it was found that the adsorption configuration on Li-BP was different from others such that the NO2 molecule preferred a vertical stabilization rather than a parallel configuration with respect to the surface. The efficiency for the detection increased in the sequence of Na-BP < BP < K-BP < Li-BP, with the most significant improvement of + 95.2% in the case of Li doping. The Na-BP demonstrated the most compelling capacity (54 times higher than BP) for NO2 capture and catalysis (− 24.36 kcal/mol at HSE06/TZVP). Furthermore, the K-doped device was appropriate for both nitrogen dioxide adsorption and sensing while also providing the highest work function sensitivity (55.4%), which was much higher than that of BP (10.4%).


Nanoscale ◽  
2016 ◽  
Vol 8 (20) ◽  
pp. 10622-10631 ◽  
Author(s):  
Zhihua Wang ◽  
Xiaoxiao Fan ◽  
Dongmei Han ◽  
Fubo Gu

2016 ◽  
Vol 603 ◽  
pp. 218-223 ◽  
Author(s):  
Kosuke O. Hara ◽  
Weijie Du ◽  
Keisuke Arimoto ◽  
Junji Yamanaka ◽  
Kiyokazu Nakagawa ◽  
...  

1967 ◽  
Vol 2 (8) ◽  
pp. 773-774 ◽  
Author(s):  
S.D. James
Keyword(s):  

2012 ◽  
Vol 108 (3) ◽  
pp. 927-932 ◽  
Author(s):  
K. Muthu ◽  
G. Bhagavannarayana ◽  
S. P. Meenakashisundaram ◽  
S. C. Mojumdar

2017 ◽  
Vol 5 (2) ◽  
pp. 1700131 ◽  
Author(s):  
Wangen Zhao ◽  
Zhun Yao ◽  
Fengyang Yu ◽  
Dong Yang ◽  
Shengzhong Frank Liu

Author(s):  
Akihiro Otsuka ◽  
Gunzi Saito ◽  
Anvar A. Zakhidov ◽  
Kyuya Yakushi ◽  
Masami Kusunoki ◽  
...  

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