Results 231 to 240 of about 2,575,718 (291)

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

Quantum Chemistry-Based Prediction of Electron Ionization Mass Spectra for Environmental Chemicals. [PDF]

Anal Chem
Hecht H, Rojas WY, Ahmad Z, Křenek A, Klánová J, Price EJ.   +5 more
europepmc   +1 more source

Role of the Recombination Zone in Organic Light‐Emitting Devices

Advanced Materials, EarlyView.
This review summarizes the critical role of the recombination zone in organic light‐emitting diodes (OLEDs). We highlight that broadening the recombination zone in OLEDs based on emissive layers with balanced charge transport and high photoluminescence quantum yields provides a promising route toward achieving both long operational lifetime and high ...
Yungui Li, Karl Leo
wiley   +1 more source

Unravelling the Glycan Code: Molecular Dynamics and Quantum Chemistry Reveal How O-Glycan Functional Groups Govern OgpA Selectivity in Mucin Degradation by Akkermansia muciniphila. [PDF]

Microb Biotechnol
Khavani M, Mehranfar A, Mofrad MRK.
europepmc   +1 more source

Universal Conductance Fluctuations in Quantum Anomalous Hall Insulators

Advanced Materials, EarlyView.
Universal conductance fluctuations are observed in mesoscopic quantum anomalous Hall insulators. Two distinct fluctuation patterns are identified, arising from different interference processes of bulk and chiral edge states, respectively. These findings unveil rich quantum interference phenomena in quantum anomalous Hall insulators and provide insights
Peng Deng, Peng Zhang, Gang Qiu, Ting‐Hsun Yang, Chang Niu, Yaochen Li, Wenqiang Cui, Yang Feng, Peide D. Ye, Ke He, Kai Chang, Kang L. Wang   +11 more
wiley   +1 more source

Comparative Study of Isomeric TFSI and FPFSI Anions in Li-Ion Electrolytes Using Quantum Chemistry and Ab Initio Molecular Dynamics. [PDF]

J Phys Chem B
Kubisiak P, Narkevičius D, Nicotri C, Eilmes A.   +3 more
europepmc   +1 more source

QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-pK_a Predictions. [PDF]

J Chem Theory Comput
Abarbanel OD, Hutchison GR.
europepmc   +1 more source

Investigating Nanoscale Interactions of Host-Guest Complexes Formed Between CB[7] and Atenolol by Quantum Chemistry and Ultrasensitive Vibrational Spectroscopy. [PDF]

Sensors (Basel)
Onaciu A, Toma V, Borșa RM, Chiș V, Știufiuc GF, Culic C, Lucaciu CM, Știufiuc RI.   +7 more
europepmc   +1 more source

Impact of Protonation Sites on Collision-Induced Dissociation-MS/MS Using CIDMD Quantum Chemistry Modeling. [PDF]

J Chem Inf Model
Lee J, Tantillo DJ, Wang LP, Fiehn O.
europepmc   +1 more source

Synthesis, spectroscopic characterization techniques of aromatic iminoaniline derived compound, along with the evaluation of its LNO properties using quantum chemistry. [PDF]

Sci Rep
Chadli R, Zouaoui Rabah M, Khelladi I, Haddou A, Ameri B, Sakkal-Rahal M.   +5 more
europepmc   +1 more source