Results 31 to 40 of about 7,418 (256)

Machine learning molecular dynamics simulation identifying weakly negative effect of polyanion rotation on Li-ion migration

npj Computational Materials, 2023
Understanding the physical picture of Li ion transport in the current ionic conductors is quite essential to further develop lithium superionic conductors for solid-state batteries.
Zhenming Xu, Huiyu Duan, Zhi Dou, Mingbo Zheng, Yixi Lin, Yinghui Xia, Haitao Zhao, Yongyao Xia   +7 more
doaj   +1 more source

Direct calculation of the ionic mobility in superionic conductors

Scientific Reports, 2022
We describe an approach based on non-equilibrium molecular dynamics (NEMD) simulations to calculate the ionic mobility of solid ion conductors such as solid electrolytes from first-principles.
Alexandra Carvalho, Suchit Negi, Antonio H. Castro Neto   +2 more
doaj   +1 more source

Charging-induced asymmetry in molecular conductors

Physical Review B, 2004
We investigate the origin of asymmetry in various measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry, with particular focus on a recent break junction measurement. We argue that such asymmetry arises due to unequal coupling with the contacts and a consequent difference in charging effects, which can only be ...
Polizzi, Eric, Datta, S., Ghosh, A., Paullson, M., Zahhid, f.   +4 more
openaire   +5 more sources

A triad molecular conductor: simultaneous control of charge and molecular arrangements

Chemical Communications, 2023
Molecular and charge arrangements in the solid state were controlled by a new building block: a triad molecule.
Naoya Kinoshita, Atsuya Maruyama, Takashi Shirahata, Toshio Naito, Yohji Misaki   +4 more
openaire   +2 more sources

Synthesis of racemic and chiral BEDT-TTF derivatives possessing hydroxy groups and their achiral and chiral charge transfer complexes

Beilstein Journal of Organic Chemistry, 2015
Chiral molecular crystals built up by chiral molecules without inversion centers have attracted much interest owing to their versatile functionalities related to optical, magnetic, and electrical properties.
Sara J. Krivickas, Chiho Hashimoto, Junya Yoshida, Akira Ueda, Kazuyuki Takahashi, John D. Wallis, Hatsumi Mori   +6 more
doaj   +1 more source

Molecular Conductors Based on Dimethylcyclohexene-Fused Tetrathiafulvalene

Chemistry
Chiral electroactive materials have attracted attention for the effects of electrical magnetochiral anisotropy (eMChA) and chirality-induced spin selectivity (CISS).
Masahiro Fujisaki, Ryoya Naito, Takashi Shirahata, Yoshitaka Kawasugi, Naoya Tajima, Yohji Misaki   +5 more
doaj   +1 more source

Electric Transport of Nodal Line Semimetals in Single-Component Molecular Conductors

Crystals, 2020
We examine an effect of acoustic phonon scattering on the electric conductivity of a single-component molecular conductor [Pd(dddt)2] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) with a half-filled band by applying the previous calculation in a two ...
Yoshikazu Suzumura, Reizo Kato, Masao Ogata   +2 more
doaj   +1 more source

European Standard Clinical Practice Guideline and EXPeRT Recommendations for the Diagnosis and Management of Gastroenteropancreatic Neuroendocrine Neoplasms in Children and Adolescents

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Pediatric gastroenteropancreatic neuroendocrine neoplasms (GEP‐NENs) are extremely rare and clinically heterogeneous. Management has largely been extrapolated from adult practice. This European Standard Clinical Practice Guideline (ESCP), developed by the EXPeRT network in collaboration with adult NEN experts, provides (adult) evidence ...
Michaela Kuhlen, Calogero Virgone, Antje Redlich, Michael Abele, Ricardo Lopez‐Almaraz, Tal Ben‐Ami, Ewa Bien, Gianni Bisogno, Maja Mazic Cesen, Andrea Ferrari, Malgorzata A. Krawczyk, Yves Reguerre, Dominik T. Schneider, Ines B. Brecht, Charlotte Rigaud, Bilgehan Yalcin, Rainer Claus, Christian Vokuhl, Constantin Lapa, Jörg Fuchs, Segolene Hescot, Thomas Walter, Julien Hadoux, Daniel Orbach   +23 more
wiley   +1 more source

Coordination polymer design for fast proton conduction: Hybrid atomistic approach based on kinetic Monte Carlo and molecular dynamics methods

Materials & Design, 2022
Fast proton conductors are important materials for catalysis and energy conversion applications. The glassy coordination polymers are an important class of proton conductors due to their good mechanical moldability; however, their conductivity has been ...
Albert M. Iskandarov, Tomofumi Tada
doaj   +1 more source

Central Nervous System Neuroblastoma, FOXR2‐Activated: A Pooled Analysis of Published Clinical Outcomes

Pediatric Blood &Cancer, EarlyView.
ABSTRACT Background Central nervous system (CNS) neuroblastoma, FOXR2‐activated, is a recently recognized entity in the WHO CNS5 classification, defined by activation of the FOXR2 transcription factor and unique histopathological features. This review synthesizes available literature and pooled clinical data, providing insight into demographics ...
Sudarshawn Damodharan, Mohamed S. Abdelbaki   +1 more
wiley   +1 more source