Results 101 to 110 of about 1,061,074 (328)

Copper Doping Enhances the Activity and Selectivity of Atomically Precise Ag44 Nanoclusters for Photocatalytic CO2 Reduction

Advanced Functional Materials, EarlyView.
By a simple anti‐Galvanic reaction, up to six copper atoms could be preferably doped into the Ag2(SR)5 staple motifs and Ag20 dodecahedral shell of an atomically precise Ag44(SR)30 nanocluster. When anatase TiO2 is used as substrate, the (AgCu)44/TiO2 photocatalyst exhibited much improved activity in photocatalytic CO2 reduction compared to Ag44/TiO2 ...
Ye Liu, Xi Zheng, Xiufan Liu, Tengyuan Gao, Nicola Pinna, Yu Wang   +5 more
wiley   +1 more source

Introduction to Topic of the Special Issue "Quantum-Chemical Modeling and Design of Chelate and Macrocyclic Metal Complexes 2.0" from Guest Editor. [PDF]

Int J Mol Sci, 2023
Mikhailov OV.
europepmc   +1 more source

Pentagonal 2D Altermagnets: Material Screening and Altermagnetic Tunneling Junction Device Application

Advanced Functional Materials, EarlyView.
From a database of 170 pentagonal 2D materials, 4 candidates exhibiting altermagnetic ordering are screened. Furthermore, the spin‐splitting and unconventional boundary states in the pentagonal 2D altermagnetic monolayer MnS2 are investigated. A MnS2‐based altermagnetic tunneling junction is designed and, through ab initio quantum transport simulations,
Jianhua Wang, Xingyue Yang, Zongmeng Yang, Jing Lu, Pin Ho, Wenhong Wang, Yee Sin Ang, Zhenxiang Cheng, Shibo Fang   +8 more
wiley   +1 more source

Prospects of Electric Field Control in Perpendicular Magnetic Tunnel Junctions and Emerging 2D Spintronics for Ultralow Energy Memory and Logic Devices

Advanced Functional Materials, EarlyView.
Electric control of magnetic tunnel junctions offers a path to drastically reduce the energy requirements of the device. Electric field control of magnetization can be realized in a multitude of ways. These mechanisms can be integrated into existing spintronic devices to further reduce the operational energy.
Will Echtenkamp, Brahmdutta Dixit, Yifei Yang, Deyuan Lyu, Thomas Peterson, Qi Jia, Yu‐Chia Chen, Jian‐Ping Wang   +7 more
wiley   +1 more source

Computer quantum-chemical simulation of the interaction of calcium carbonate with biopolymers

Современная наука и инновации
As part of this work, computer quantum chemical modeling of the interaction of calcium carbonate with biopolymers (chitosan, hydroxyethylcellulose, hyaluronic acid) was carried out.
M. A. Pirogov, A. V. Blinov, I. M. Shevchenko, M. A. Yasnaya, A. A. Gvozdenko, A. B. Golik, Z. A. Rehman   +6 more
doaj   +1 more source

Towards Quantum-Chemical Modeling of the Activity of Anesthetic Compounds. [PDF]

Int J Mol Sci, 2021
Cukras J, Sadlej J.
europepmc   +1 more source

Łukasiewicz-Moisil Many-Valued Logic Algebra of Highly-Complex Systems [PDF]

, 2010
A novel approach to self-organizing, highly-complex systems (HCS), such as living organisms and artificial intelligent systems (AIs), is presented which is relevant to Cognition, Medical Bioinformatics and Computational Neuroscience.
Baianu, Professor I.C., Georgescu, Professor George, Glazebrook, Professor James F.   +2 more
core  

Controlled Aggregation of Pyrene‐Based Supramolecular Nanostructures for Light‐Driven Switchable H2 or H2O2 Production

Advanced Functional Materials, EarlyView.
This work reports the self‐assembly of a pyrene derivative into two distinct nanostructures and their application in visible‐light photocatalysis. The two nanostructures exhibit completely different yet complementary photocatalytic activities, promoting either H2 or H2O2 evolution.
Marianna Barbieri, Matilde Doardo, Ilaria Fortunati, Anna Fortunato, Elisabetta Collini, Francesca Arcudi, Luka Ðorđević   +6 more
wiley   +1 more source

Twelve-Nitrogen-Atom Cyclic Structure Stabilized by 3d-Element Atoms: Quantum Chemical Modeling. [PDF]

Int J Mol Sci, 2022
Mikhailov OV, Chachkov DV.
europepmc   +1 more source

Reconfigurable Three‐Dimensional Superconducting Nanoarchitectures

Advanced Functional Materials, EarlyView.
3D superconducting nanostructures offer new possibilities for emergent physical phenomena. However, fabricating complex geometries remains challenging. Here 3D nanoprinting of complex 3D superconducting nanoarchitectures is established. As well as propagating superconducting vortices in 3D, anisotropic superconducting properties with geometric ...
Elina Zhakina, Luke Alexander Turnbull, Weijie Xu, Markus König, Paul Simon, Wilder Carrillo‐Cabrera, Amalio Fernández‐Pacheco, Uri Vool, Dieter Suess, Claas Abert, Vladimir M. Fomin, Claire Donnelly   +11 more
wiley   +1 more source