Results 211 to 220 of about 151,306 (306)

Nuclear structure theory in spin- and number-conserving quasiparticle configuration spaces: First applications

, 1984
K.W. Schmid, F. Grümmer, Amand Faessler
openalex   +2 more sources

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

Perspective: Vibronic Coupling Potentials for Trajectory-Based Excited-State Dynamics. [PDF]

J Chem Theory Comput
Gómez S, Vindel-Zandbergen P, Farkhutdinova D, González L.   +3 more
europepmc   +1 more source

Development of a LDIE Prediction Theory in the Condition of Magnetite Formation on Secondary Side Piping in Nuclear Power Plants

, 2016
Kyeong-Mo Hwang, Hyeok Kee Seo, Chan Kyu Lee, Won Chang Nam   +3 more
openalex   +2 more sources

Non Thermal‐Driven Photocatalytic Ammonia Decomposition at Near‐Room Temperature on a Plasmonic Nanocone Array

Advanced Functional Materials, EarlyView.
Plasmonic photocatalytic ammonia decomposition occurs at near‐room temperature on a plasmonic Au nanocone array under visible light illumination. The nanostructure efficiently harnesses plasmonic modes, leading to increased reaction rates upon plasmon decay.
Thanh‐Lam Bui, S. M. Hossein Hejazi, Jan Navrátil, Hana Kmentová, Petr Bábor, Olivier Henrotte, Luca Mascaretti, Matteo Bisetto, Stephen K. Sanders, Andrea Schirato, Michal Otyepka, Piotr Błoński, Tiziano Montini, Radek Zboril, Paolo Fornasiero, Alessandro Alabastri, Alberto Naldoni, Stepan Kment   +17 more
wiley   +1 more source

The Polytope Formalism: application to molecular constitution and the prospect of a complete description of Chemical Space. [PDF]

Chem Sci
Canfield PJ, Crossley MJ.
europepmc   +1 more source

2D Multifunctional Spin‐Orbit Coupled Dirac Nodal Line Materials

Advanced Functional Materials, EarlyView.
A total of 473 nonmagnetic and antiferromagnetic 2D spin‐orbit coupled Dirac nodal line materials are screened, spanning 5 layer groups and 12 magnetic space groups. Furthermore, it integrates their topological properties with electride, multiferroic, and magnetic characteristics, revealing unique systems with expanded functionalities and promising ...
Weizhen Meng, Ying Liu, Jialin Gong, Yalong Jiao, Xiaoming Zhang, Wenxian Li, Zhenxiang Cheng, Tie Yang   +7 more
wiley   +1 more source

A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems. [PDF]

J Chem Theory Comput
Vogt JR, Schulz M, Souza Mattos R, Barbatti M, Persico M, Granucci G, Hutter J, Hehn A.   +7 more
europepmc   +1 more source

A Geometric Phase–Space Theory of Nuclear Stability, Pairing Quantization, Shell_Corrugations, Fission Localization, and Superheavy Stabilization with Empirical_Phase–Space Validation

Abhishek Chaudhary
openalex   +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