scholarly journals The structures of neutral transition metal doped silicon clusters, SinX (n = 6−9; X = V, Mn)

2013 ◽  
Vol 138 (19) ◽  
pp. 194301 ◽  
Author(s):  
Pieterjan Claes ◽  
Vu Thi Ngan ◽  
Marko Haertelt ◽  
Jonathan T. Lyon ◽  
André Fielicke ◽  
...  
Keyword(s):  
Transition Metal ◽  
Silicon Clusters ◽  
Doped Silicon ◽  
Metal Doped

A DFT investigation on group 8B transition metal-doped silicon carbide nanotubes for hydrogen storage application

2018 ◽  
Vol 439 ◽  
pp. 494-505 ◽  
Author(s):  
Chanukorn Tabtimsai ◽  
Vithaya Ruangpornvisuti ◽  
Sarawut Tontapha ◽  
Banchob Wanno
Keyword(s):  
Silicon Carbide ◽  
Transition Metal ◽  
Hydrogen Storage ◽  
Silicon Carbide Nanotubes ◽  
Doped Silicon ◽  
Metal Doped

Design guidelines for transition metals as interstitial emitters in silicon nanocrystals to tune photoluminescence properties: zinc as biocompatible example

Nanoscale ◽  
2020 ◽  
Vol 12 (37) ◽  
pp. 19340-19349
Author(s):  
Dirk König ◽  
Richard D. Tilley ◽  
Sean C. Smith
Keyword(s):  
Medical Imaging ◽  
Transition Metal ◽  
Transition Metals ◽  
Silicon Nanocrystals ◽  
Design Guidelines ◽  
Photoluminescence Properties ◽  
Design Rules ◽  
Doped Silicon ◽  
Metal Doped ◽  
Microwave Excitation

General photoluminescence design rules for interstitial transition-metal-doped silicon nanocrystals are derived; Zn shows excellent properties for medical imaging and plasmonic microwave excitation to exactly eliminate marked cells.

Recent progress in the computational study of transition metal doped Si clusters

2005 ◽  
Vol 1 (4) ◽  
pp. 230-239 ◽  
Author(s):  
Ju-Guang Han ◽  
Frank Hagelberg
Keyword(s):  
Transition Metal ◽  
Recent Progress ◽  
Computational Study ◽  
Magnetic Characteristic ◽  
Building Blocks ◽  
Atomic Transition ◽  
Equilibrium Geometry ◽  
Silicon Clusters ◽  
Computational Research ◽  
Metal Doped

Computational investigations on silicon clusters (Sin) in combination with atomic transition metal (TM) impurities are reviewed in this contribution. Emphasis is placed on studies that focus on the size exohedral to endohedral evolution features of TMSin, such as the critical ligand number for the transition from equilibrium geometry. Geometric, energetic, electronic and magnetic characteristic of TMSin are discussed in the size region n ≤ 20. It is pointed out that selected TMSin systems with n = 12 and n = 16 emerge from present computational research as the most promising candidates for building blocks of novel nanomaterials.

Magnetism in Transition-Metal-Doped Silicon Nanotubes

2003 ◽  
Vol 91 (14) ◽  
Author(s):  
Abhishek Kumar Singh ◽  
Tina M. Briere ◽  
Vijay Kumar ◽  
Yoshiyuki Kawazoe
Keyword(s):  
Transition Metal ◽  
Silicon Nanotubes ◽  
Doped Silicon ◽  
Metal Doped

Structural assignment, and electronic and magnetic properties of lanthanide metal doped silicon heptamers Si7M0/− with M = Pr, Gd and Ho

2016 ◽  
Vol 18 (45) ◽  
pp. 31054-31063 ◽  
Author(s):  
Tran Dieu Hang ◽  
Huynh Minh Hung ◽  
Minh Tho Nguyen
Keyword(s):  
Magnetic Properties ◽  
Ground State ◽  
Quantum Chemical ◽  
Photoelectron Spectra ◽  
Silicon Clusters ◽  
Electronic And Magnetic Properties ◽  
Structural Assignment ◽  
Doped Silicon ◽  
Lanthanide Metal ◽  
Metal Doped

The ground state geometries of neutral and anionic lanthanide-metal-doped silicon clusters Si7M0/− with M = Pr, Gd and Ho were determined by quantum chemical (DFT) computations and the previous experimental photoelectron spectra were assigned.

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