Results 181 to 190 of about 379,294 (295)

Atomic-Scale Mapping of Interfacial Water on Oxide Surfaces via Proton-Resolved NMR and <i>Ab Initio</i> Simulations. [PDF]

J Am Chem Soc
Agosta L, Conover K, Rzepka P, Gordeeva A, Slabon A, Pelczer I, Selloni A, Hermansson K, Jaworski A.   +8 more
europepmc   +1 more source

A High‐Performance and Fully Recyclable Supramolecular Nanofibrous Membrane for Multifunctional Air Filtration

Advanced Science, EarlyView.
A green, thermoreversible self‐assembly strategy yields a multifunctional and recyclable supramolecular nanofibrous membrane. Graphene oxide (GO) nanosheet acts as a heterogeneous nucleation‐templating agent, simultaneously modulating the supramolecular crystal packing while tailoring the nanofibrous architecture for elite performance.
Wenjing Sun, Ding Yuan, Jiaqi Wan, Junyu Chen, Zhen Yan, Yinuo Yan, Senjie Dong   +6 more
wiley   +1 more source

Ab-initio heat transport in defect-laden quasi-1D systems from a symmetry-adapted perspective. [PDF]

NPJ Comput Mater
Cen YJ, Wieser S, Madsen GKH, Carrete J.
europepmc   +1 more source

Thermally Modulated Specular Phonon Transport in a High‐Debye‐Temperature Diamond Nanobeam

Advanced Science, EarlyView.
Thermal transport in single‐crystal diamond nanobeams is measured from 140 to 300 K using electro‐thermal micro‐suspended structures. The thermal conductivity shows an increasing deviation from Boltzmann transport predictions assuming fully diffuse boundary scattering at lower temperatures.
Seohee Jang, Seung‐Woo Jeon, Takuma Shiga, Jeeyoung Shin, Sangwook Han, Woosung Park   +5 more
wiley   +1 more source

Ab initio detection of multiple epitranscriptomic modifications from Oxford nanopore technology direct RNA sequencing data. [PDF]

Brief Bioinform
Fonzino A, Fosso B, Visci G, Gissi C, Pesole G, Picardi E.   +5 more
europepmc   +1 more source

Memristive Baffle Systems: Design, Simulation, and Applications

Advanced Science, EarlyView.
This study presents a nanoscale baffle‐system strategy for HfO2‐based memristors that controls oxygen‐vacancy transport through Al2O3 interlayers. Guided by multiscale simulation and experimental validation, the Al2O3 dual‐barrier configuration simultaneously enhances synaptic linearity and endurance.
Eun Young Kim, Juseong Park, Sumin Ju, Taeyoung Jeong, Dohyun Kim, Woojoon Park, Myeongchan Ko, Woon Hyung Cheong, Jung‐Hae Choi, Kyung Min Kim   +9 more
wiley   +1 more source

Raman Spectra and Thermal Conductivity of TiAlB, VAlB, CrAlB: An Ab Initio Study. [PDF]

ACS Omega
Wang S, Chen L, Song J.
europepmc   +1 more source

A Si‐MoSe2 Heterostructured Anode with Enhanced Thermal Transport and Electrochemical Performance for Liquid and All‐Solid‐State Lithium‐Ion Batteries

Advanced Science, EarlyView.
Chemically bonded Si@MoSe2@C heterointerfaces with robust Si─Se─Mo bonds enable high‐performance Si anodes. Lattice‐matched MoSe2 on porous Si with carbon‐protective coating delivers 1054 mAh g−1 after 100 cycles and 99.5% Coulombic efficiency over 400 cycles.
Yajun Zhu, Jiaqi Gu, Guangwu Zhang, Tianli Han, Yang Lu, Zhongbing Li, Hang Su, Fei Wang, Haojun Xu, Wentuan Bi, Qiye Zheng, Jinyun Liu   +11 more
wiley   +1 more source

Quantum Calculation of the Collision-Induced Line-Shape Effects in Antiprotonic Helium and the New Accurate Ab Initio p¯He+-He Potential Energy Surface. [PDF]

J Chem Theory Comput
Jóźwiak HJ, Bakalov D, Przybytek M, Stoilov M, Wcisło P.   +4 more
europepmc   +1 more source

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

Advanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray, Andrew R. Castillo, Manoj Kolel‐Veetil, Surya R. Kalidindi   +3 more
wiley   +1 more source