Effective passivation of black phosphorus against atmosphere by quasi-monolayer of F4TCNQ molecules
Effective passivation of black phosphorus against atmosphere by quasi-monolayer of F4TCNQ molecules
复制标题
F4TCNQ准单层分子对黑磷的大气钝化
DOI：
10.1063/5.0015119
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发表时间：
2020-08
影响因子：
4
通讯作者：
Gao Yongli
中科院分区：
文献类型：
--
作者：
Wang Shitan;Li Jialin;Zhao Yuan;Liu Baoxing;Yuan Pan;Wei Junhua;Zhang Jianhua;Xie Haipeng;Niu Dongmei;Long Mengqiu;Gao Yongli
黑磷(BP)因其独特的半导体特性而受到广泛关注，但BP的稳定性差极大地限制了其实际器件应用。在这项工作中，我们通过真空蒸发和退火在BP上制备了准单层2,3,5,6-四氟-7,7,8,8-四氰基醌二甲烷（F4TCNQ）钝化层。光电子能谱 (PES) 表征证实了准单层 F4TCNQ/BP 具有理想的空气稳定性和强界面电荷转移 (ICT)。还应用密度泛函理论（DFT）计算进一步研究了钝化机理，结果表明，由于F4TCNQ较强的引出能力，BP价带中的孤对电子转移到F4TCNQ分子并牢固定域，大大增强了电子转移到H2O和O2的能垒，阻碍了磷原子的进一步氧化。同时，在 F4TCNQ/BP 界面上形成近欧姆接触，这可以极大地促进基于 BP 的器件中的载流子传输。
Black phosphorus (BP) has drawn extensive attention due to its unique semiconducting properties, but the poor stability of BP greatly limits its practical device application. In this work, we have fabricated a passivation layer of quasi-monolayer 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) on the BP simply by vacuum evaporation and annealing. The desirable air stability and strong interface charge transfer (ICT) of quasi-monolayer F4TCNQ/BP were confirmed with photoemission spectroscopy (PES) characterization. Density functional theory (DFT) calculations were also applied to further investigate the passivation mechanism, and the results show that the lone pair electrons in BP's valence band transfer to F4TCNQ molecules and were firmly localized due to the strong withdrawing ability of F4TCNQ, which greatly enhanced the energy barrier of electrons transfer to H2O and O2 and hindered the further oxidation of phosphorus atoms. Meanwhile, a nearly Ohmic contact is formed across the F4TCNQ/BP interface which may greatly facilitate the carrier transport in BP based devices.
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影响因子：
3.2
作者：
Liu, Xiaoliang;Yi, Shijuan;Gao, Yongli
通讯作者：
Gao, Yongli
影响因子：
3.4
作者：
L. Khalil;D. Pierucci;E. Papalazarou;J. Chaste;M. Silly;F. Sirotti;M. Eddrief;L. Perfetti;E. Lhuillier;A. Ouerghi
通讯作者：
L. Khalil;D. Pierucci;E. Papalazarou;J. Chaste;M. Silly;F. Sirotti;M. Eddrief;L. Perfetti;E. Lhuillier;A. Ouerghi
通过分子吸附进行单层磷烯的表面电荷转移掺杂
影响因子：
5.7
作者：
He, Yuanyuan;Xia, Feifei;Jie, Jiansheng
通讯作者：
Jie, Jiansheng
影响因子：
3.2
作者：
Gao, WY;Kahn, A
通讯作者：
Kahn, A
具有更高稳定性的鲁棒两疏性少层黑磷纳米片
影响因子：
15.1
作者：
Liu, Xiao;Bai, Yunfei;Zhao, Yanli
通讯作者：
Zhao, Yanli