Structural properties of conductive polymer blends interfaced with water: computational insights from PEDOT:PSS [0.03%]
基于PEDOT：PSS界面接触水的导电聚合物共混物结构特性：计算见解
Amali G Guruge,Hesam Makki,Alessandro Troisi
Amali G Guruge
In various bioelectronic applications, conductive polymers come into contact with biological tissues, where water is the major component. In this study, we investigated the interface between the conductive polymer poly(3,4-ethylenedioxythio...
Calibration of several first excited state properties for organic molecules through systematic comparison of TDDFT with experimental spectra [0.03%]
通过实验光谱与TDDFT系统对比校正有机分子几个第一激发态属性
Xia Wu,Xiaoyu Xie,Alessandro Troisi
Xia Wu
Time-dependent density functional theory (TDDFT) is a powerful computational tool for investigating excitation properties in organic electronics, and it holds significant potential for high-throughput virtual screening (HTVS) in this field....
Transition from antiferromagnetic ground state to robust ferrimagnetic order with Curie temperatures above 420 K in manganese-based antiperovskite-type structures [0.03%]
锰基反钙钛矿型结构中从反铁磁基态到高温铁磁有序态的转变（居里温度高于420 K）
Xinghong Zhang,Quan Yuan,Tangling Gao et al.
Xinghong Zhang et al.
Manganese (Mn)-based antiperovskite structures (Mn3AX, where A and X represent the 3d transition-metal elements and N or C atoms, respectively) have attracted growing attention because of their novel electronic and magnetic properties. Howe...
Suraya Kazi,Pravallika Bandaru,Haoran Tang et al.
Suraya Kazi et al.
Conducting polymers can be dynamically switched between being optically metallic (negative real permittivity) and dielectric (positive real permittivity) by varying their redox state. This has enabled nanoantennas with plasmonic resonances ...
Observation and enhancement through alkali metal doping of p-type conductivity in the layered oxyselenides Sr2ZnO2Cu2Se2 and Ba2Zn1- x O2- x Cu2Se2 [0.03%]
通过碱金属掺杂观察并增强层状氧硒化物Sr2ZnO2Cu2Se2和Ba2Zn1-xO2-xCu2Se2的空穴导电性
Zahida Malik,Sarah Broadley,Sebastian J C Herkelrath et al.
Zahida Malik et al.
The optoelectronic properties of two layered copper oxyselenide compounds, with nominal composition Sr2ZnO2Cu2Se2 and Ba2ZnO2Cu2Se2, have been investigated to determine their suitability as p-type conductors. The structure, band gaps and el...
Mobile intrinsic point defects for conductive neutral domain walls in LiNbO3 [0.03%]
锂铌氧化物中传导中性畴壁的本征点缺陷及其移动性
Kristoffer Eggestad,Benjamin A D Williamson,Dennis Meier et al.
Kristoffer Eggestad et al.
Conductive ferroelectric domain walls (DWs) hold great promise for neuromorphic nanoelectronics as they can contribute to realize multi-level diodes and nanoscale memristors. Point defects accumulating at DWs will change the local electrica...
Structural and Physical Properties of Two Distinct 2D Lead Halides with Intercalated Cu(II) [0.03%]
具有插入Cu(II)的两种不同的二维铅卤化物的结构和物理性质
Kanika Parashar,Zheng Zhang,Volodymyr Buturlim et al.
Kanika Parashar et al.
Transition metal cation intercalation between the layers of two-dimensional (2D) metal halides is an underexplored research area. In this work we focus on the synthesis and physical property characterizations of two layered hybrid lead hali...
Perspectives on systematic optimization of ultrasensitive biosensors through experimental design [0.03%]
基于实验设计的超高灵敏度生物传感器系统优化研究进展
Mariapia Caputo,Angelo Tricase,Verdiana Marchianò et al.
Mariapia Caputo et al.
Biosensors have demonstrated versatility across numerous applications; however, their systematic optimization remains a primary obstacle, limiting their widespread adoption as dependable point-of-care tests. Experimental design, a powerful ...
Dennis J Klaassen,Ilias Boutis,Carolien Castenmiller et al.
Dennis J Klaassen et al.
Germanene is a two-dimensional topological insulator with a large topological band gap. For its use in low-energy electronics, such as topological field effect transistors and interconnects, it is essential that its topological edge states ...
Phase distribution regulation of formamidinium-based quasi-2D perovskites through solution engineering [0.03%]
基于 formamidinium 的 准二维 钙钛矿 相分布 调控 的研究
Xiao Zhang,Lisanne Einhaus,Annemarie Huijser et al.
Xiao Zhang et al.
Quasi-2D perovskites have attracted attention as potential solar energy absorber materials due to their balanced efficiency and stability and their unique quantum-well structures. In order to facilitate directional excitons and charge carri...