scholarly journals An electrostatic spectral neighbor analysis potential for lithium nitride

2019 ◽  
Vol 5 (1) ◽  
Author(s):  
Zhi Deng ◽  
Chi Chen ◽  
Xiang-Guo Li ◽  
Shyue Ping Ong
Keyword(s):  
Lithium Nitride

scholarly journals Reindarstellung und Kristallstruktur von Lithiumnitriddibromid, Li5NBr2 / Preparation and Crystal Structure of Lithium Nitride Dibromide, Li5NBr2

1995 ◽  
Vol 50 (9) ◽  
pp. 1353-1358 ◽  
Author(s):  
Rupert Marx ◽  
Hans Michael Mayer
Keyword(s):  
Single Phase ◽  
Close Packing ◽  
Unit Cell ◽  
Orthorhombic Space Group ◽  
Lithium Nitride ◽  
Neutron Powder Diffraction Data ◽  
Linear Chains ◽  
Vertex Sharing ◽  
Unknown Structure ◽  
Quasi Binary System

AbstractSingle phase Li5NBr2 was prepared by the reaction of Li3N and dry, OH-free LiBr under inert gas at 430 °C. In the quasi-binary system Li3-2xN1-xBrx, Li5NBr2 is the second most nitride rich compound after Li10N3Br. Following unit cell indexing using laboratory X-ray powder data the previously unknown structure of Li5NBr2 was solved from neutron powder diffraction data recorded at the flat-cone and powder diffractometer E2 at the rebuilt reactor BERII in Berlin. The title compound crystallizes in the orthorhombic space group Immm (No. 71), a = 603.79(4), b = 1181.3(1), c = 390.14(3) pm with two formula units per unit cell. The L i-N -sublattice comprises linear chains of vertex sharing Li6N-octahedra which are aligned along the short c-axis and are separated by chains of bromine atoms. The N-Br arrangement may be regarded as an ordered AX2 variant of a cubic close packing involving two kinds of atoms. Lithium atoms occupy the tetrahedral holes formed by one nitrogen and three bromine atoms, as well as the N - N edges of the N2Br2 tetrahedra.

Structure of Lithium Nitride and Transition-Metal-Doped Derivatives, Li3-x-yMxN (M = Ni, Cu):  A Powder Neutron Diffraction Study

2002 ◽  
Vol 14 (5) ◽  
pp. 2063-2070 ◽  
Author(s):  
Duncan H. Gregory ◽  
Paul M. O'Meara ◽  
Alexandra G. Gordon ◽  
Jason P. Hodges ◽  
Simine Short ◽  
...  
Keyword(s):  
Transition Metal ◽  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Lithium Nitride ◽  
Powder Neutron Diffraction ◽  
Metal Doped

scholarly journals Ammonia Synthesis via Non-Equilibrium Reaction of Lithium Nitride in Hydrogen Flow Condition

2013 ◽  
Vol 77 (12) ◽  
pp. 580-584
Author(s):  
Kiyotaka Goshome ◽  
Hiroki Miyaoka ◽  
Tomoyuki Ichikawa ◽  
Takayuki Ichikawa ◽  
Yoshitsugu Kojima
Keyword(s):  
Flow Condition ◽  
Ammonia Synthesis ◽  
Lithium Nitride ◽  
Hydrogen Flow ◽  
Equilibrium Reaction ◽  
Non Equilibrium

Tunable Ionic and Electronic Conduction of Lithium Nitride via Phosphorus and Arsenic Substitution: A First-Principles Study

2010 ◽  
Vol 114 (39) ◽  
pp. 16706-16709 ◽  
Author(s):  
Shunnian Wu ◽  
Su San Neo ◽  
Zhili Dong ◽  
Freddy Boey ◽  
Ping Wu
Keyword(s):  
First Principles ◽  
Electronic Conduction ◽  
Lithium Nitride ◽  
First Principles Study

scholarly journals Free Energy of Formation for Solid Lithium Nitride

1982 ◽  
Vol 19 (1) ◽  
pp. 78-79 ◽  
Author(s):  
Mitsuru ASANO ◽  
Kenji KUBO ◽  
Hitoshi KIMURA
Keyword(s):  
Free Energy ◽  
Lithium Nitride ◽  
Free Energy Of Formation ◽  
Energy Of Formation

scholarly journals Low dimensional nanostructures of fast ion conducting lithium nitride

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Nuria Tapia-Ruiz ◽  
Alexandra G. Gordon ◽  
Catherine M. Jewell ◽  
Hannah K. Edwards ◽  
Charles W. Dunnill ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Lithium Ion ◽  
Ionic Mobility ◽  
Binary Compound ◽  
Model Material ◽  
Lithium Nitride ◽  
Energy Applications ◽  
Ion Conducting ◽  
Low Dimensional ◽  
Fast Ion

Abstract As the only stable binary compound formed between an alkali metal and nitrogen, lithium nitride possesses remarkable properties and is a model material for energy applications involving the transport of lithium ions. Following a materials design principle drawn from broad structural analogies to hexagonal graphene and boron nitride, we demonstrate that such low dimensional structures can also be formed from an s-block element and nitrogen. Both one- and two-dimensional nanostructures of lithium nitride, Li3N, can be grown despite the absence of an equivalent van der Waals gap. Lithium-ion diffusion is enhanced compared to the bulk compound, yielding materials with exceptional ionic mobility. Li3N demonstrates the conceptual assembly of ionic inorganic nanostructures from monolayers without the requirement of a van der Waals gap. Computational studies reveal an electronic structure mediated by the number of Li-N layers, with a transition from a bulk narrow-bandgap semiconductor to a metal at the nanoscale.

Quartet states in lithium nitride

1979 ◽  
Vol 32 (3) ◽  
pp. 319-321 ◽  
Author(s):  
R. Hundhausen ◽  
H. D�rner ◽  
H. Sixl ◽  
H. Brendecke
Keyword(s):  
Lithium Nitride

Defect structure and ionic conductivity in lithium nitride

1981 ◽  
Vol 43 (2) ◽  
pp. 265-272 ◽  
Author(s):  
J. R. Walker ◽  
C. R. A. Catlow
Keyword(s):  
Ionic Conductivity ◽  
Defect Structure ◽  
Lithium Nitride
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