Results 21 to 30 of about 21,812,597 (319)

Research on Molecular Structure and Electronic Properties of Ln3+ (Ce3+, Tb3+, Pr3+)/Li+ and Eu2+ Co-Doped Sr2Si5N8 via DFT Calculation

open access: yesMolecules, 2021
We use density functional theory (DFT) to study the molecular structure and electronic band structure of Sr2Si5N8:Eu2+ doped with trivalent lanthanides (Ln3+ = Ce3+, Tb3+, Pr3+). Li+ was used as a charge compensator for the charge imbalance caused by the
Ziqian Yin   +3 more
doaj   +1 more source

Minimum Length from First Principles [PDF]

open access: yes, 2005
We show that no device or gedanken experiment is capable of measuring a distance less than the Planck length. By "measuring a distance less than the Planck length" we mean, technically, resolve the eigenvalues of the position operator to within that ...
Calmet, Xavier   +2 more
core   +3 more sources

First Principles Study on Li-doped and Li,O-codoped AlN

open access: yesMedžiagotyra, 2019
This paper focuses on the detailed investigation of the structural and electronic properties of wurtzite AlN crystals doped by Li with and without oxygen with the first principles calculation.
Honglei WU   +5 more
doaj   +1 more source

A Libertarian Anarchist Analysis of Norman Geisler’s Philosophy of Government

open access: yesReligions, 2023
There are numerous approaches and conclusions regarding church and state relations and how Christianity affects public policy. Yet the purpose of this study is to question some of the philosophical assumptions and biblical interpretations that Christians
Anthony Michael Miller
doaj   +1 more source

Protein Repeats from First Principles [PDF]

open access: yes, 2016
Some natural proteins display recurrent structural patterns. Despite being highly similar at the tertiary structure level, repeating patterns within a single repeat protein can be extremely variable at the sequence level. We use a mathematical definition
Becher, Veronica Andrea   +4 more
core   +1 more source

First-Principles View on Photoelectrochemistry: Water-Splitting as Case Study

open access: yesInorganics, 2017
Photoelectrochemistry is truly an interdisciplinary field; a natural nexus between chemistry and physics. In short, photoelectrochemistry can be divided into three sub-processes, namely (i) the creation of electron-hole pairs by light absorption; (ii ...
Anders Hellman, Baochang Wang
doaj   +1 more source

Investigating the β-Mg17Al12 Alloy under Pressure Using First-Principles Methods: Structure, Elastic Properties, and Mechanical Properties

open access: yesCrystals, 2022
Calculations of first principles were employed to explore the elastic constants of the β-Mg17Al12 intermetallic complex under pressure, along with several related physical parameters, including the bulk modulus, the shear modulus, Young’s modulus ...
Chuncai Xiao   +5 more
doaj   +1 more source

Generalized entropies from first principles [PDF]

open access: yes, 2001
We present a derivation of power law canonical distributions from first principle statistical mechanics, including the exponential distribution as a It is presented a derivation of power law canonical distributions from first principle statistical ...
Almeida, M. P.
core   +1 more source

Derivation of OTFS Modulation From First Principles [PDF]

open access: yesIEEE Transactions on Vehicular Technology, 2020
Orthogonal Time Frequency Space (OTFS) modulation has been recently proposed to be robust to channel induced Doppler shift in high mobility wireless communication systems.
S. K. Mohammed
semanticscholar   +1 more source

A First-Principles Study of Zinc Oxide Honeycomb Structures [PDF]

open access: yes, 2009
We present a first-principles study of the atomic, electronic, and magnetic properties of two-dimensional (2D), single and bilayer ZnO in honeycomb structure and its armchair and zigzag nanoribbons.
E. Bekaroglu   +6 more
core   +2 more sources

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