Results 161 to 170 of about 115,357 (297)

Quantum Statistical Mechanics of Electronically Open Molecules: Reduced Density Operators. [PDF]

J Chem Theory Comput
Pedersen J, Sannes BS, Høyvik IM.
europepmc   +1 more source

Porosity Engineering of MXene Architectures: Toward High‐Performance Aqueous Electrochemical Energy Storage

Advanced Materials, EarlyView.
This review systematically summarizes recent advances in porosity engineering of MXenes, with a focused discussion on their structure‐governed energy storage properties. A critical analysis of structure–property relationships is presented across alkali‐ion batteries, multivalent‐ion batteries, and supercapacitors.
Shude Liu, Jieming Chen, Xue Peng, Huilin Zhang, Ling Kang, Ming Ma, Zhaoling Li, Yusuke Yamauchi, Bin Ding   +8 more
wiley   +1 more source

Study on the Effect of Substitutional Doping of Ce Atomic on the Damage Properties of Fused Silica. [PDF]

Materials (Basel)
Chen J, Ni K, Hong R, Li L, Sui Z.
europepmc   +1 more source

Polymorph‐Specific Electronic Transduction in WO3 during Molecular Sensing

Advanced Materials, EarlyView.
Metal‐oxide polymorphs with similar surface chemistry can nevertheless exhibit distinct sensing properties. In γ‐ and ε‐WO3, analyte adsorption appears comparable; yet, only ε‐WO3 induces a pronounced lattice electronic perturbation that accommodates charge in sub‐conduction band minimum states.
Matteo D'Andria, Meng Yin, Stefan Neuhauser, Vlasis G. Mavrantzas, Ying Chen, Ken Suzuki, Andreas T. Güntner   +6 more
wiley   +1 more source

DMRG/FQ: A Polarizable Embedding Approach Combining Density Matrix Renormalization Group and Fluctuating Charges. [PDF]

J Chem Theory Comput
Rinaldi M, Sepali C, Kirk AM, Amovilli C, Cappelli C.   +4 more
europepmc   +1 more source

Evidence for Itinerant Ferromagnetic Flat Bands Producing Large Transverse Responses

Advanced Materials, EarlyView.
Itinerant ferromagnetic flat bands are demonstrated in GdCo5 with a high Curie temperature of 940K, a stacked honeycomb–kagome lattice, through angle‐resolved photoemission spectroscopy and magneto‐thermoelectric measurements. These topological flat bands generate large Berry curvaturte, producing gigantic anomalous Nernst effect with record‐high ...
Susumu Minami, Yangming Wang, Seigo Souma, Hiroto Nakamura, Akito Sakai, Takumi Osumi, Hang Su, Hikaru Watanabe, Shun'ichiro Kurosawa, Rikuto Oiwa, Daisuke Nishio‐Hamane, Kosuke Nakayama, Takuya Nomoto, Ryotaro Arita, Takafumi Sato, Satoru Nakatsuji   +15 more
wiley   +1 more source

Simulation of Dense Star Map in Deep Space Based on Gaia Catalogue. [PDF]

Sensors (Basel)
Li P, Bao G, Zhou Z, Gong J.
europepmc   +1 more source

Metamaterial Antennas Enhance MRI of the Eye and Occipital Brain

Advanced Materials, EarlyView.
A radiofrequency antenna platform comprising planar and bend configurations is developed, incorporating structurally integrated epsilon‐negative metamaterial unit cells to enhance MRI. These antennas enable high‐resolution in vivo human MRI of the eye, orbit, and occipital brain. Comprehensive validation, including simulations, phantom experiments, SAR,
Nandita Saha, Bilguun Nurzed, Mostafa Berangi, Andre Kuehne, Helmar Waiczies, Igor Fabian Tellez Ceja, Xiang Hu, Thomas Gladytz, Lisa Krenz, Dave Huebler, Beate Endemann, Claudia Brockmann, Ebba Beller, Oliver Stachs, Thoralf Niendorf   +14 more
wiley   +1 more source

Discovery of a novel Keap1 inhibitor for neurodegeneration through virtual screening and molecular dynamics simulations. [PDF]

PLoS One
Hasan MM, Mostaid MS, Bepari AK, Reza HM, Hossain M.   +4 more
europepmc   +1 more source

LEAD: Literature Enhanced Ab Initio Discovery of Nitride Dusting Layers for Enhanced Tunnel Magnetoresistance and Lower Resistance Magnetic Tunnel Junctions

Advanced Materials, EarlyView.
Magnetic tunnel junctions (MTJs) using MgO tunnel barriers face challenges of high resistance‐area product and low tunnel magnetoresistance (TMR). To discover alternative materials, Literature Enhanced Ab initio Discovery (LEAD) is developed. The LEAD‐predicted materials are theoretically evaluated, showing that MTJs with dusting of ScN or TiN on ...
Sabiq Islam, William S. Rogers, Chen‐Yu Hu, Ming‐Yuan Song, Xinyu Bao, Shehrin Sayed, Jean Anne C. Incorvia   +6 more
wiley   +1 more source