„Principles“

Suchergebnisse

10.000+ Treffer

• First-Principles Investigation of Ti2.25Co0.75Si and Ti2.25Co0.75Si0.5 X 0.5 (X = As and Sb) Heusler Alloys: Spin-Polarized Electronic, Magnetic, and Mechanical Properties
  Wang, Yue ; Liu, Yuan ; Cheng, Haolei ; Wang, Liying
• First-principles study on the Jahn-Teller distortion in trigonal bipyramidal coordinated LiFe1−x M x BO3 (M = Mn, Co, and Ni) compounds
  Jiang, Fayou ; Chen, Shanhua ; Zhang, Haonan ; Wang, Xiaolian ; Di, Yuli ; Liu, Endong ; Li, Taishan ; Deng, Lin ; Zhu, Xiaodong ; Huang, Duohui
• First-Principles Calculations to Investigate Structural, Electronic, Elastic, Magnetic, and Thermodynamic Properties of Full-Heusler Rh2MnZ (Z = Zr, Hf)
  Mentefa, Amal ; Boufadi, Fatima Zohra ; Ameri, Mohammed ; Gaid, FerielOuarda ; Bellagoun, Loubna ; Odeh, Ali Abu ; Al-Douri, Y.
• First-principles calculations of vibrational and optical properties of half-Heusler NaScSi
  Kars Durukan, Ilknur ; Oztekin Ciftci, Yasemin
• Enhanced Electron–Phonon Coupling and Superconductivity in Two-dimensional BC2N via Lithium Deposition: a First-Principles Investigation
  Chen, Jianyong
• Effects of different alloying elements M (M = Fe, Ni, Mn, Si, Mo, Cu, Y) on Cr2O3 with Cl: a first-principles study
  Niu, Ya-nan ; Dong, Nan ; Liu, Si ; Yang, Jing ; Han, Pei-de ; Wu, Yu-cheng
• First-principles studies of HF and HCl adsorption over graphene
  Ran, Jiwei ; Hao, Xingguang ; Li, Kai ; Wang, Chi ; Song, Xin ; Sun, Xin ; Ning, Ping
• Effects of Two Nearest V Substitution Doping on Magnetism of Monolayer CrSi2 via First-Principles Investigations
  Chen, Shaobo ; Chen, Ying ; Yan, Wanjun ; Zeng, Zhaoyi ; Chen, Xiangrong ; Qin, Xinmao
• ABP maximum principles for fully nonlinear integro-differential equations with unbounded inhomogeneous terms
  Kitano, Shuhei
• Structural, electrochemical, electronic, and magnetic properties of monoclinic Li x V2(PO4)3 for x = 3, 2, 1 using first-principles calculations
  Ahmani Ferdi, Chouaib ; Belaiche, Mohammed ; Iffer, Elabadila
• Electrochemical potentials from first principles
  Fletcher, Stephen
• First-principles study on the structural, electronic, elastic and thermal properties of P42/mnm-BSi
  Li, Qiang ; Zhang, Hu
• First Principles Study of Structure, Alloying and Electronic Properties of Mg-doped CuAg Nanoalloys
  Datta, Soumendu
• The potential application of borazine (B3N3)-doped nanographene decorated with halides as anode materials for Li-ion batteries: a first-principles study
  Rahimi, Rezvan ; Solimannejad, Mohammad
• Non-regular hexagonal 2D carbon, an allotrope of graphene: a first-principles computational study
  Iyakutti, K. ; Surya, V. J. ; Lakshmi, I. ; Rajeswarapalanichamy, R. ; Kawazoe, Y.
• A Critical Study of Phase Stability and Electronic, Magnetic, and Elastic Properties in the Inverse Heusler Cr2MnSi Alloy: a First-Principles Calculations
  Akriche, A. ; Bezzerrouk, M. A. ; Naceur, R. ; Kharroubi, B. ; Bousmaha, M.
• Promotion Effect of Pt-Substituted Rh55 Cluster Toward NO Adsorption and Dissociation: A First-Principles Study
  Xue, Man ; Zhang, Lihong ; Guo, Xiangyu ; Wang, Ning ; Huang, Shiping
• Between fairness, welfare and feasibility: an approach for applying different distributive principles in transport evaluation
  te Boveldt, Geert ; Keseru, Imre ; Macharis, Cathy
• First-principles microkinetic analysis of dehydrogenation of cyclohexene on the Pt/Cu/Pt (111) surface
  Feng, Shou Chun ; Ma, Hong Yan ; Hao, Peng Peng
• The Origin of Half-Metallicity in SrO Doped with Transition Metal Atoms Silver and Gold: a First Principles Calculations
  Teli, Nazir Ahmad ; Sirajuddeen, M. Mohamed Sheik