摘要：文章基于锯齿形碳化硅纳米带,通过将中间部分结构在空间上进行向上平移,再翻转180°形成异质结,保留碳边缘通道,形成“品”型三端异质结器件,并利用密度泛函理论和非平衡格林函数的计算方法,研究该三端器件的电子输运特性。计算结果表明:无论是在铁磁态还是反铁磁态下,一种自旋电子都能从一端电极经由异质结单边通道渡越到另一端电极,实现了100%的自旋极化电子输运;当对中心区外加栅压时,电流随着栅压增加而减小,当栅压大于0.5 V时,器件内部电子输运通道关闭,2种自旋电子均不能通过三端器件,表明通过栅极电压可以实现对器件内部电子输运能力的调控;若器件受到外力产生形变,只要形变量小于6.7%,电子输运能力几乎不改变。研究结果为基于碳化硅纳米带的纯自旋流器件的设计提供了有力的理论依据。

摘要：Amidst the development of photoelectrochemical(PEC)CO_(2) conversion toward practical application,the production of high-value chemicals beyond C1 compounds under mild conditions is greatly desired yet ***,through rational PEC device design by combining Au-loaded and N-doped TiO_(2) plate nanoarray photoanode with Zn-doped Cu_(2)O dark cathode,efficient conversion of CO_(2) to CH3COOH has been achieved with an outstanding Faradaic efficiency up to 58.1%(91.5%carbon selectivity)at 0.5 V ***/*** programmed desorption and in situ Raman spectra reveal that the Zn-dopant in Cu_(2)O plays multiple roles in selective catalytic CO_(2) conversion,including local electronic structure manipulation and active site modification,which together promote the formation of intermediate*CH2/*CH3 for C-C *** from that,it is also unveiled that the sufficient electron density provided by the Au-loaded and N-doped TiO_(2) plate nanoarray photoanode plays an equally important role by initiating multi-electron CO_(2) *** work provides fresh insights into the PEC system design to reach the multi-electron reduction reaction and facilitate the C-C coupling reaction toward high-value multicarbon(C2+)chemical production via CO_(2) conversion.