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We designed a high-entropy doped NASICON cathode, Na$_3$V$_{1.9}$(CrMoAlZrNi)$_{0.1}$(PO$_4$)$_3$ and investigate its electrochemical performance for sodium-ion batteries (SIBs) to understand the diffusion mechanism including distribution…

Materials Science · Physics 2026-02-05 Manish Kr. Singh , Rajendra S. Dhaka

Despite decades of study, the identity of the dominant \ce{Li+}-conducting phase within the inorganic SEI of Li-ion batteries remains unresolved. While the mosaic model describes LiF/\ce{Li2O}/\ce{Li2CO3} nanocrystallites within a…

Materials Science · Physics 2025-12-16 Peichen Zhong , Kristin A. Persson

It is shown that the electronic conduction in silicon-on-insulator (SOI) layers exhibits a metallic regime which is very similar to that in high-mobility Si-metal oxide semiconductor structures (MOS). The peak in the electron mobility…

Strongly Correlated Electrons · Physics 2007-05-23 G. Brunthaler , A. Prinz , G. Pillwein , P. E. Lindelof , J. Ahopelto

Moderate amount of bending strains, ~3% are enough to induce the semiconductor-metal transition in Si nanowires of ~4nm diameter. The influence of bending on silicon nanowires of 1 nm to 4.3 nm diameter is investigated using molecular…

Mesoscale and Nanoscale Physics · Physics 2017-03-14 M. Golam Rabbani , Sunil R. Patil , M. P. Anantram

This is the first quantitative analysis of mechanical reliability of all-solid state batteries. Mechanical degradation of the solid electrolyte (SE) is caused by intercalation-induced expansion of the electrode particles, within the…

Materials Science · Physics 2017-03-16 Giovanna Bucci , Tushar Swamy , Yet-Ming Chiang , W. Craig Carter

Fast lithium transport across the solid-state electrolyte (SSE)/lithium metal anode interface is critical for high-performance all-solid-state batteries. Uncovering the complex lithium dynamics governed by diverse local environments in the…

Materials Science · Physics 2026-03-04 Qiye Guan , Yongqing Cai

Nanowires have been considered for a number of applications in nanometrology. In such a context, we have explored the possibility of using ultrathin twisted nanowires as torsion nanobalances to probe forces and torques at molecular level…

Mesoscale and Nanoscale Physics · Physics 2014-11-05 Joelson Cott-Garcia , Joao F. Justo

Fluoroethylene carbonate (FEC) shows promise as an electrolyte additive for improving passivating solid-electrolyte interphase (SEI) films on silicon anodes used in lithium ion batteries (LIB). We apply density functional theory (DFT), ab…

Water-in-Salt-Electrolytes (WiSEs) are a promising class of next-generation electrolytes. Unlike classical dilute electrolytes or more conventional battery electrolytes, WiSEs are characterised by their super-concentrated salt concentration…

Extensive efforts have been devoted to C-Si compound materials for improving the limited specific capacity of graphite anode and avoiding the huge volume change of Si anode in Li-ion battery, but not much progress has been made during the…

Materials Science · Physics 2018-05-23 Junyi Liu , Shuo Wang , Yu Qie , Jiabing Yu , Qiang Sun

We consider electronic transport through semiconducting nanowires (W) with spin-orbit interaction (SOI), in a hybrid N-W-N setup where the wire is contacted by normal-metal leads (N). We investigate the conductance behavior of the system as…

Mesoscale and Nanoscale Physics · Physics 2014-12-16 Diego Rainis , Daniel Loss

Computational screening of battery electrolyte components is an extremely challenging task because very complex features like solidelectrolyte-interphase (SEI) formation and graphite exfoliation need to be taken into account at least at the…

Chemical Physics · Physics 2015-07-27 Tamara Husch , Martin Korth

Silicon nanowires have been surface functionalized with the enzyme urease for biosensor applications to detect and quantify urea concentration. The device is nanofabricated from a silicon on insulator (SOI) wafer with a top down lithography…

Biological Physics · Physics 2011-01-05 Yu Chen , Xihua Wang , Mi Hong , Shyamsunder Erramilli , Pritiraj Mohanty

Metal anodes provide the highest energy density in batteries. However, they still suffer from electrode/electrolyte interface side reactions and dendrite growth, especially under fast-charging conditions. In this paper, we consider a…

Materials Science · Physics 2025-07-29 Hamed Taghavian , Viktor Vanoppen , Erik Berg , Peter Broqvist , Jens Sjölund

Volumetric expansion of silicon anode particles in a lithium-ion battery during charging may lead to the generation of undesirable internal stresses. For a cylindrical particle such growth may also lead to failure by buckling if the…

Soft Condensed Matter · Physics 2019-08-13 Jeevanjyoti Chakraborty , Colin P. Please , Alain Goriely , S. Jonathan Chapman

We report on the structure and electrical characteristics of silicon nanowire arrays prepared by metal assisted chemical etching (MACE) method, investigated by cross-sectional scanning electron microscopy (SEM) and high resolution X-ray…

Combined gold and silicon nano-system has spurred tremendous interest in the scientific community due to its application in different metal-semiconductor electronic devices and solar driven water splitting cells. Silicon, fabricated on gold…

Materials Science · Physics 2024-06-19 Shahriar Nahian , Shahriar Muhammad Nahid , Mohammad Motalab , Pritom Bose

The observation that the thermal conductivity of single-crystalline silicon nanowires with diameter on the length scale of 25 nm is lower than that of bulk material by two orders of magnitude has attracted the interest onto silicon as a…

Energy efficient, safe and reliable Li-ion batteries (LIBs) are required for a wide range of applications. Charging capabilities of thick electrodes still holding their stored high-energy is a most desirable characteristic in future…

Silicon suboxide is currently considered as a unique candidate for lithium ion batteries anode materials due to its considerable capacity. However, no adequate information exist about the role of oxygen content on its performance. To this…

Materials Science · Physics 2017-03-28 Obaidur Rahaman , Bohayra Mortazavi , Timon Rabczuk