Results 41 to 50 of about 16,264,893 (304)
Reversible hydrogen storage in Y2C MXene under the influence of functional groups (F, Cl, OH)
Scientific ReportsThe hydrogen storage potential of the bare MXenes Y2C and terminated Y2CT2, where T is O, OH, or F, were studied using density functional theory (DFT). Hydrogen adsorption and desorption behaviors are simulated by ab initio molecular dynamic simulations.
Thanasee Thanasarnsurapong +5 more
doaj +1 more source
Logos and Logoi in Plotinus. Their nature and Function [PDF]
SCHOLE, 2009 The universe is the result of a production that pertains not to craft, but to nature. This production does not involve either reasoning or concepts, but is the result of a power that acts on matter like an imprint.
Brisson, Luc
doaj
Extended uncertainty from first principles
Physics Letters B, 2016 A translation operator acting in a space with a diagonal metric is introduced to describe the motion of a particle in a quantum system. We show that the momentum operator and, as a consequence, the uncertainty relation now depend on the metric.
Raimundo N. Costa Filho +3 more
doaj +1 more source
Crystals, 2020 In this paper, the structure and photoelectric characteristics of zincblende InxGa1−xN alloys are systematically calculated and analyzed based on the density functional theory, including the lattice constant, band structure, distribution of electronic ...
Juan Song +9 more
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Pediatric Blood &Cancer, EarlyView.ABSTRACT Background Outcomes in relapsed or refractory pediatric and AYA bone sarcomas remain poor, and the impact of early referral to specialized sarcoma centers on survival is unclear. Early centralization of care may improve local and systemic treatment quality, but evidence in this population is limited.
Justyna Antoniuk‐Majchrzak +9 more
wiley +1 more source
Materials Research Express, 2023 MoSi _2 is one of the most promising refractory metal silicide materials, but its further use as a structural material is limited by its drawbacks such as poor room-temperature toughness and low high-temperature strength.
YuRui Wang +5 more
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Order-N first-principles calculations with the CONQUEST code
, 2007 We summarize the principles underlying the conquest code for first-principles modeling of systems containing many thousands of atoms. Very recent technical developments implemented in the code are outlined.
Bowler, David +3 more
core +1 more source
Therapeutic Apheresis and Dialysis, EarlyView.ABSTRACT Background Patients with chronic kidney disease undergoing hemodialysis commonly experience reduced physical function, fatigue, poor sleep quality, and impaired health‐related quality of life. Intradialytic exercise has been proposed as a non‐pharmacological strategy to improve these outcomes.
Klebson da Silva Almeida +6 more
wiley +1 more source
Results in MaterialsThe structural, elastic, electronic, and optical properties of BaGe2As2 and BaGe2P2 have been theoretically investigated, but their thermoelectric properties have not been reported.
Debora Nameme +3 more
doaj +1 more source
Frontiers in Chemistry, 2020 We investigate a reduced scaling full-potential DFT method based on the multiple scattering theory (MST) code MuST, which is released online (https://github.com/mstsuite/MuST) very recently.
Peiyu Cao +5 more
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