Nonlinear optical response of Li n ClK (n = 1–6) superalkali clusters

First theoretical framework of superalkali metals [M3X(M = Li, Na, k; X = O, S, F, N)] doped all-boron B38 nanocluster: A promising class of nonlinear optical materials for optoelectronic applications

(2023) Muhammad Usman Khan et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Enhancement in non-linear optical properties of carbon nitride (C2N) by doping superalkali (Li3O): A DFT study

(2022) Talha Ishfaq et al.   Computational and Theoretical Chemistry

Ab initio diffusion quantum Monte Carlo study of the structural and electronic properties of small Lithium-Chloride LinCl (0,1+) (n = 1–7) clusters

(2022) Zhen Gao et al.   Computational and Theoretical Chemistry

DFT study of super-halogen (Al7) doped carbon nitride (C2N) and its nonlinear optical properties

(2022) Abid Hussain et al.   JOURNAL OF MOLECULAR STRUCTURE

Influence of bi-alkali metals doping over Al12N12 nanocage on stability and optoelectronic properties: A DFT investigation

(2021) Muhammad Sohail et al.   RADIATION PHYSICS AND CHEMISTRY

A Theoretical Perspective on Strategies for Modeling High Performance Nonlinear Optical Materials

(2021) Rehana Bano et al.   Frontiers in Materials

A Density Functional Investigation on LinI (n = 1–8) Clusters

(2020) Arslan Ünal et al.   JOURNAL OF CLUSTER SCIENCE

On the Possibility of Using the Jellium Model as a Guide To Design Bimetallic Superalkali Cations

(2019) Wei‐Ming Sun et al.   CHEMISTRY-A EUROPEAN JOURNAL

Recent Progress on the Design, Characterization, and Application of Superalkalis

(2019) Wei‐Ming Sun et al.   CHEMISTRY-A EUROPEAN JOURNAL

Reduction of nitrogen oxides (NO x ) by superalkalis

(2018) Ambrish Kumar Srivastava   CHEMICAL PHYSICS LETTERS

Activation of Dinitrogen with a Superalkali Species, Li3 F2

(2018) Heejune Park et al.   CHEMPHYSCHEM

Extended First Hyperpolarizability of Quasi-Octupolar Molecules by Halogenated Methylation: Whether the Iodine Atom is the Best Choice

(2018) Zeyu Liu et al.   Journal of Physical Chemistry C

A DFT based study of geometries, stabilities and electronic properties of LinF (n = 1–8) clusters

(2018) Arslan Ünal et al.   MAIN GROUP CHEMISTRY

Engineering Redox Potential of Lithium Clusters for Electrode Material in Lithium-Ion Batteries

(2017) Anoop Kumar Kushwaha et al.   JOURNAL OF CLUSTER SCIENCE

Structure and stability of small lithium-chloride LinClm(0,1+) (n ≥ m, n = 1–6, m = 1–3) clusters

(2017) Milan Milovanović et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

M2X (M= Li, Na; X= F, Cl): the smallest superalkali clusters with significant NLO responses and electride characteristics

(2016) Ambrish Kumar Srivastava et al.   MOLECULAR SIMULATION

Theoretical investigation of boron-doped lithium clusters, BLin (n = 3–6), activating CO2: an example of the carboxylation of C–H bonds

(2016) Jing-Feng Ma et al.   RSC Advances

Evolution of structure, stability, and nonlinear optical properties of the heterodinuclear CNLin (n=1–10) clusters

(2015) Dan Hou et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Nonlinear optical behavior of Li n F (n = 2–5) superalkali clusters

(2015) Ambrish Kumar Srivastava et al.   JOURNAL OF MOLECULAR MODELING

A Density Functional Study of LinCl (n=1 – 7) Clusters

(2015) Şükrü Şentürk   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES

On the Potential Application of Superalkali Clusters in Designing Novel Alkalides with Large Nonlinear Optical Properties

(2014) Wei-Ming Sun et al.   INORGANIC CHEMISTRY

Superalkalis and Superhalogens As Building Blocks of Supersalts

(2014) Santanab Giri et al.   JOURNAL OF PHYSICAL CHEMISTRY A

C5Li7+and O2Li5+as Noble-Gas-Trapping Agents

(2013) Sudip Pan et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theoretical investigation of geometry and stability of small lithium-iodide LinI (n= 2-6) clusters

(2013) Milan Z. Milovanović et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Density functional study of bromine-doped lithium clusters

(2013) Şükrü Şentürk et al.   Computational and Theoretical Chemistry

Study of small chlorine-doped potassium clusters by thermal ionization mass spectrometry

(2012) F. M. Veljković et al.   JOURNAL OF MASS SPECTROMETRY

Formation of positive cluster ions LinBr (n = 2-7) and ionization energies studied by thermal ionization mass spectrometry

(2012) S. R. Veličković et al.   JOURNAL OF MASS SPECTROMETRY

Nonlinear Optical Molecular Switches as Selective Cation Sensors

(2012) Benoît Champagne et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The hydrogen trapping potential of some Li-doped star-like clusters and super-alkali systems

(2012) Sudip Pan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Three-Dimensional Nanostructures as Highly Efficient Generators of Second Harmonic Light

(2011) Yu Zhang et al.   NANO LETTERS

Breakdown of the first hyperpolarizability/bond-length alternation parameter relationship

(2010) N. A. Murugan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Compounds of Superatom Clusters: Preferred Structures and Significant Nonlinear Optical Properties of the BLi6-X (X = F, LiF2, BeF3, BF4) Motifs

(2008) Ying Li et al.   INORGANIC CHEMISTRY

Nonlinear optical properties of Aun−mMm (M=Ag, Cu; m=1, 2) clusters

(2008) Ying Xu et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM