NDLI: Superatomic orbitals in sixteen-coordinate M@Li<sub>16</sub> bonded by metallic bonds

Please wait, while we are loading the content...

Nanoscale Vol -9

Nanoscale Vol -8

Nanoscale Vol - 4 Issue - 24

Nanoscale Vol - 4 Issue - 19

Nanoscale Vol - 4 Issue - 9

Nanoscale Vol - 4 Issue - 8

Front cover

Inside front cover

Contents list

Nanostructured metal oxide-based materials as advanced anodes for lithium-ion batteries

Quasi-dynamic mode of nanomembranes for time-of-flight mass spectrometry of proteins

Critical aspects in the production of periodically ordered mesoporous titania thin films

Superatomic orbitals in sixteen-coordinate M@Li₁₆ bonded by metallic bonds

High performance bipolar resistive switching memory devices based on Zn₂SnO₄ nanowires

Microfluidic fabrication of cationic curcumin nanoparticles as an anti-cancer agent

Energetics and dynamics of a new type of extended line defects in graphene

Edge effects control helical wrapping of carbon nanotubes by polysaccharides

Microstructure evolution and advanced performance of Mn₃O₄ nanomorphologies

A facile synthesis of PLGA encapsulated cerium oxide nanoparticles: release kinetics and biological activity

Morphology-controlled synthesis of ZnO replicas with photonic structures from butterfly (Papilio paris) wing scales for tunable optical properties

Synthesis of CuO nanowalnuts and nanoribbons from aqueous solution and their catalytic and electrochemical properties

Water flow enhancement in hydrophilic nanochannels

Chemiresistive response of silicon nanowires to trace vapor of nitro explosives

Solvothermal synthesis of Pt–Pd alloys with selective shapes and their enhanced electrocatalytic activities

Facetted patchy particles through entropy-driven patterning of mixed ligand SAMS

Nanoscale charge distribution and energy band modification in defect-patterned graphene

Dense and vertically-aligned centimetre-long ZnS nanowire arrays: ionic liquid assisted synthesis and their field emission properties

Controlled fabrication of silver nanoneedles array for SERS and their application in rapid detection of narcotics

Noble-metal-free carbon nanotube-Cd_0.1Zn_0.9S composites for high visible-light photocatalytic H₂-production performance

A flexible UV nanosensor based on reduced graphene oxide decorated ZnO nanostructures

Regulating DNA translocation through functionalized soft nanopores

Synthesis and characterization of novel dual-responsive nanogels and their application as drug delivery systems

Nanoscale investigation of the electrical properties in semiconductor polymer–carbon nanotube hybrid materials

Simplifying the growth of hybrid single-crystals by using nanoparticle precursors: the case of AgI

In vivo studies on angiogenic activity of two designer self-assembling peptide scaffold hydrogels in the chicken embryo chorioallantoic membrane

Fabrication of nanoelectrode ensembles by electrodepositon of Au nanoparticles on single-layer graphene oxide sheets

The as-prepared gold cluster-based fluorescent sensor for the selective detection of As^III ions in aqueous solution

Fabrication of “strong” columnar Cu_2−xSe superstructures assisted by inorganic ligands

A comprehensive understanding of melting temperature of nanowire, nanotube and bulk counterpart

Nanoscale characterization and magnetic reversal mechanism investigation of electrospun NiFe₂O₄ multi-particle-chain nanofibres

Template synthesis of SnO₂/α-Fe₂O₃ nanotube array for 3D lithium ion battery anode with large areal capacity

Back matter

Back cover

Nanoscale Vol - 4 Issue - 7

Nanoscale Vol - 4 Issue - 6

Nanoscale Vol - 4 Issue - 5

Nanoscale Vol - 4 Issue - 4

Nanoscale Vol - 4 Issue - 3

Nanoscale Vol -3

Nanoscale Vol -2

Nanoscale Vol -1

Superatomic orbitals in sixteen-coordinate M@Li₁₆ bonded by metallic bonds

Content Provider	Royal Society of Chemistry (RSC)
Author	Ji, Min Yao, Yong-xin Gong, Xin-gao Chen, Guo-hong Gu, Xiao
Copyright Year	2012
Abstract	Based on density-functional calculation and genetic algorithm structure search, we propose a series of 16-coordinate core–shell clusters: M@Li16(M = Ca, Sr, Ba, Ti, Zr, Hf). A tetrahedral (Td) structure with an outer shell of 16 lithium atoms and one enclosed heavy atom is found to be the global minimum in the structural exploration of BaLi16 based on genetic algorithm. This structure also has lower energy compared to the other isomers we employed in all the MLi16 clusters. In this structure, the atoms are bonded together by metallic bonds with alkali (IA) and alkaline-earth (IIA) metal atoms. Their corresponding first electronic shells are closed with significant energy gaps because their total numbers of valence electrons fulfil the 18-electron rule. Such a combination could be extended to 20-electron systems by enclosing IVB elements. With simple valence electrons and highly symmetric structures, superatomic molecular orbitals are identified in all of the Td clusters.
Starting Page	2567
Ending Page	2570
Page Count	4
File Format	HTM / HTML PDF
ISSN	20403364
Volume Number	4
Issue Number	8
Journal	Nanoscale
DOI	10.1039/c2nr00056c
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	18-electron rule Zirconium Genetic algorithm Lithium Alkali metal Ba
Content Type	Text
Resource Type	Article
Subject	Nanoscience and Nanotechnology

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Extraction process for removing metallic impurities from alkalide metals

Penetration of alkali atoms throughout a graphene membrane: theoretical modeling

The 18-electron rule and electron counting in transition metal compounds: theory and application

Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance

Compatibility of SiC/SiC Composite Materials with Molten Lithium Metal and Li16-Pb84 Eutectic Alloy

Formation and Inhibition of Metallic Lithium Microstructures in Lithium Batteries Driven by Chemical Crossover

ZIRCONIUM ELECTROPLATING ON URANIUM FROM MOLTEN ALKALI FLUORIDE SALTS.

Tuning the Electronic Response of Metallic Graphene by Potassium Doping.

Atomic and superatomic structures of solid solutions of zirconium and calcium oxides

Superatomic orbitals in sixteen-coordinate M@Li₁₆ bonded by metallic bonds

Similar Documents

Extraction process for removing metallic impurities from alkalide metals

Penetration of alkali atoms throughout a graphene membrane: theoretical modeling

The 18-electron rule and electron counting in transition metal compounds: theory and application

Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance

Compatibility of SiC/SiC Composite Materials with Molten Lithium Metal and Li16-Pb84 Eutectic Alloy

Formation and Inhibition of Metallic Lithium Microstructures in Lithium Batteries Driven by Chemical Crossover

ZIRCONIUM ELECTROPLATING ON URANIUM FROM MOLTEN ALKALI FLUORIDE SALTS.

Tuning the Electronic Response of Metallic Graphene by Potassium Doping.

Atomic and superatomic structures of solid solutions of zirconium and calcium oxides

Superatomic orbitals in sixteen-coordinate M@Li16 bonded by metallic bonds

Superatomic orbitals in sixteen-coordinate M@Li₁₆ bonded by metallic bonds