Results 151 to 160 of about 199,150 (290)

Magnetism and Nonlinear Charge Transport in NiFe2O4/γ‐Al2O3/SrTiO3 Heterostructure: Toward Spintronic Applications

Advanced Functional Materials, EarlyView.
In this report, we demonstrate that a crystalline phase of 52nm thick NiFe2O4 can be grown by RF sputtering on top of γ‐Al2O3(8nm)/SrTiO3 at a significantly low temperature (150 °C) without compromising the mobility and carrier density of the 2D electron gas at the γ‐Al2O3(8nm)/SrTiO3 interface.
Amit Chanda, Thor Hvid‐Olsen, Christina Hoegfeldt, Anshu Gupta, Alessandro Palliotto, Fardin Ghaffari‐Tabrizi, Maja A. Dunstan, Kasper S. Pedersen, Dae‐Sung Park, Damon J. Carrad, Thomas Sand Jespersen, Felix Trier   +11 more
wiley   +1 more source

Toward the Physical Interpretation of Inductive and Resonance Substituent Effects and Reexamination Based on Quantum Chemical Modeling. [PDF]

ACS Omega, 2017
Szatylowicz H, Jezuita A, Siodła T, Varaksin KS, Domanski MA, Ejsmont K, Krygowski TM.   +6 more
europepmc   +1 more source

Intermediate Resistive State in Wafer‐Scale Vertical MoS2 Memristors Through Lateral Silver Filament Growth for Artificial Synapse Applications

Advanced Functional Materials, EarlyView.
In MOCVD MoS2 memristors, a current compliance‐regulated Ag filament mechanism is revealed. The filament ruptures spontaneously during volatile switching, while subsequent growth proceeds vertically through the MoS2 layers and then laterally along the van der Waals gaps during nonvolatile switching.
Yuan Fa, Milan Buttberg, Ke Ran, Rana Walied Ahmad, Dennis Braun, Lukas Völkel, Jimin Lee, Sofía Cruces, Bart Macco, Bárbara Canto, Holger Lerch, Thorsten Wahlbrink, Holger Kalisch, Michael Heuken, Andrei Vescan, Joachim Mayer, Zhenxing Wang, Ilia Valov, Stephan Menzel, Max C. Lemme   +19 more
wiley   +1 more source

Quantum chemical modeling, molecular docking, and ADMET evaluation of imidazole phenothiazine hybrids. [PDF]

Sci Rep
Shukla D, Azad I, Sheikh SY, Ali SN, Ahmad N, Kamal A, Faiyyaz M, Khan AR, Ahmad V, Alghamdi AA, Nasibullah M, Hassan F.   +11 more
europepmc   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source

Understanding the Mechanism of Triplet-Triplet Energy Transfer in the Photocatalytic [2 + 2] Cycloaddition: Insights From Quantum Chemical Modeling. [PDF]

J Comput Chem
Lee E, Moon H, Park J, Baik MH.
europepmc   +1 more source

Quantum chemical modeling of the reaction path of chorismate mutase based on the experimental substrate/product complex. [PDF]

FEBS Open Bio, 2017
Burschowsky D, Krengel U, Uggerud E, Balcells D.   +3 more
europepmc   +1 more source

Dual‐Ligand Metal‐Organic Frameworks via In Situ Amidoxime Engineering for Selective Ion Separation

Advanced Functional Materials, EarlyView.
Inspired by microbial ion‐trapping mechanisms, a mild and universal strategy is developed to construct highly porous amidoxime‐functionalized MOFs. DFT calculations and molecular force measurements reveal that the dual‐ligand amidoxime configuration significantly strengthens Ga(III) affinity.
Zhifang Lv, Guixia Fan, Yun Bai, Guosheng Li, Peng Li, Wenjihao Hu, Yijun Cao, Wenshuai Yang, Daoguang Teng, Hongbo Zeng   +9 more
wiley   +1 more source

Unraveling Quantitative Sensing Mechanism and Predictive Molecular Metrics for High‐Performance OFET Amine Sensors

Advanced Functional Materials, EarlyView.
This study introduces a novel chloro boron subphthalocyanine/polymer blend OFET sensor achieving 0.005 ppb limit of detection for ammonia at room temperature and high selectivity against similar amines. An original theoretical framework is proposed to describe the sensing mechanism, relating analyte molecular volume and Lewis basicity to sensor ...
Kavinraaj Ella Elangovan, Matthew P. Confer, Rui Zhang, Siqing Wang, Jeffrey S. Moore, Rohit Bhargava, Ying Diao   +6 more
wiley   +1 more source

Favipiravir Analogues as Inhibitors of SARS-CoV-2 RNA-Dependent RNA Polymerase, Combined Quantum Chemical Modeling, Quantitative Structure-Property Relationship, and Molecular Docking Study. [PDF]

Molecules
Latosińska M, Latosińska JN.
europepmc   +1 more source