The impact of ligands on the synthesis and application of metal halide perovskite nanocrystals
Metal halide perovskites have emerged as attractive materials for use in solar cells, light
emitting diodes and other optoelectronic devices, mainly due to their impressive charge …
emitting diodes and other optoelectronic devices, mainly due to their impressive charge …
A novel iodo bridged 1D CuI coordination polymer containing N, N-bidentate Schiff base ligand: Synthesis, structure, theoretical studies, electrochemical properties …
In this study, a new 1D polymeric Cu (I) complex [Cu (L 2Cl) I] n, where L= N, N′-bis (2-
chlorobenzylidene) ethane-1, 2-diamine, was synthesized and characterized using different …
chlorobenzylidene) ethane-1, 2-diamine, was synthesized and characterized using different …
A Comparative study of SCN-adsorption on the Al12N12, Al12P12, and Si and Ge-doped Al12N12 nano-cages to remove from the environment
M Vakili, V Bahramzadeh, M Vakili - Journal of Chemistry Letters, 2020 - jchemlett.com
The geometry, electronic structure, and catalytic properties of Al12N12 and Al12P12 nano-
cages are investigated by density functional theory calculations. The results express that …
cages are investigated by density functional theory calculations. The results express that …
The study of SCN− adsorption on B12N12 and B16N16 nano-cages
A Soltani, MT Baei, ET Lemeski… - Superlattices and …, 2014 - Elsevier
DFT calculations were prepared to study the adsorption behavior and electronic properties
of the pure and doping metals BN nano-cages on SCN− molecule at the B3LYP, PBE, and …
of the pure and doping metals BN nano-cages on SCN− molecule at the B3LYP, PBE, and …
Luminescent Cu I thiocyanate complexes based on tris (2-pyridyl) phosphine and its oxide: from mono-, di-and trinuclear species to coordination polymers
AV Artem'ev, EP Doronina, MI Rakhmanova… - New Journal of …, 2016 - pubs.rsc.org
Tris (2-pyridyl) phosphine oxide reacts with CuSCN to form a variety of luminescent
complexes, depending on the specified metal-to-ligand ratio and the solvent used, viz …
complexes, depending on the specified metal-to-ligand ratio and the solvent used, viz …
DFT study of SCN− adsorption effect on structural and electronic properties of Si12C12 fullerenes
F Li, F Fathdal, G Abd, JMA Sulaiman… - Diamond and Related …, 2023 - Elsevier
Utilizing density functional theory (DFT) calculations, the adsorption characteristics and
electronic structure of thiocyanate anion (SCN−) through nitrogen and sulfur heads upon the …
electronic structure of thiocyanate anion (SCN−) through nitrogen and sulfur heads upon the …
Ab initio investigation of the SCN− chemisorption of single-walled boron nitride nanotubes
A Soltani, N Ahmadian, Y Kanani, A Dehnokhalaji… - Applied surface …, 2012 - Elsevier
The thiocyanate anion (SCN−) adsorption capacity of zigzag single-walled boron nitride
nanotubes (SWBNNTs) is studied via first-principles theory. Binding energy corresponding …
nanotubes (SWBNNTs) is studied via first-principles theory. Binding energy corresponding …
The ligating versatility of pseudohalides like thiocyanate and cyanate in copper (II) complexes of 2-benzoylpyridine semicarbazone: Monomer, dimer and polymer
RJ Kunnath, M Sithambaresan, AA Aravindakshan… - Polyhedron, 2016 - Elsevier
Three new copper (II) complexes [Cu (bpsc)(NCS)] n (1),[Cu (Hbpsc)(NCS) 2](2) and [Cu
(bpsc) μ 2 (NCO)] 2 (3) of a semicarbazone Hbpsc (where Hbpsc= 2-benzoylpyridine …
(bpsc) μ 2 (NCO)] 2 (3) of a semicarbazone Hbpsc (where Hbpsc= 2-benzoylpyridine …
A first-principles study of the SCN− chemisorption on the surface of AlN, AlP, and BP nanotubes
A Soltani, MR Taghartapeh, H Mighani… - Applied surface …, 2012 - Elsevier
We have performed first-principles calculations to explore the adsorption behavior of the
SCN− on electronic properties of AlN, AlP, and BP nanotubes. The adsorption value of …
SCN− on electronic properties of AlN, AlP, and BP nanotubes. The adsorption value of …
Synthesis, structural aspects and magnetic properties of an unusual 2D thiocyanato-bridged cobalt (II)–Schiff base network
S Thakurta, RJ Butcher, CJ Gómez-García… - Inorganica Chimica …, 2010 - Elsevier
A new two-dimensional (2D) thiocyanato-bridged cobalt (II) network formulated as [LCo2
(NCS) 2] n (1), has been synthesized with the Schiff base ligand N, N′-bis (3 …
(NCS) 2] n (1), has been synthesized with the Schiff base ligand N, N′-bis (3 …