Electronic Properties, Linear and Nonlinear Performance of KAgCh (Ch = S, Se) Compounds: A First-Principles Study

T Seddik, D Behera, M Batouche, W Ouerghui… - Crystals, 2023 - mdpi.com
In the current study, the peculiar nonlinear optical (NLO) properties of KAg Ch (Ch= S, Se)
and their structural, electronic, and thermodynamic properties are computed utilizing the FP …

Pb7O(OH)3(CO3)3(BO3): First Mixed Borate and Carbonate Nonlinear Optical Material Exhibiting Large Second-Harmonic Generation Response

M Abudoureheman, L Wang, X Zhang, H Yu… - Inorganic …, 2015 - ACS Publications
The first borate carbonate UV nonlinear optical material Pb7O (OH) 3 (CO3) 3 (BO3) was
hydrothermally synthesized, which features a (3, 9)-connected IrSi3-like structure …

UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units

L Wang, S Pan, L Chang, J Hu, H Yu - Inorganic Chemistry, 2012 - ACS Publications
A new noncentrosymmetric polyborate, Ba2 [B6O9 (OH) 4], has been synthesized under a
hydrothermal condition. The polyborate contains chiral layers constructed by two kinds of …

A Nitrate Nonlinear Optical Crystal Pb16(OH)16(NO3)16 with a Large Second-Harmonic Generation Response

L Chang, L Wang, X Su, S Pan, R Hailili, H Yu… - Inorganic …, 2014 - ACS Publications
A noncentrosymmetric nitrate, Pb16 (OH) 16 (NO3) 16, has been obtained using a
hydrothermal method. It is constructed of [Pb4 (OH) 4] 4+ cubanes and nitrate form the …

Exploration of new chiral hybrid semiconducting palladium halide complexes:[(R)/(S)-2-Methylpiperazinediium] PdCl4

BB Salah, F Hajlaoui, K Karoui, N Audebrand… - Materials Research …, 2023 - Elsevier
Chiral organic-inorganic halogenometallate hybrids have attracted significant research
interest in various fields from optoelectronic to photovoltaic devices. However, to this day the …

Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure–Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)

J Yeon, SH Kim, SD Nguyen, H Lee… - Inorganic …, 2012 - ACS Publications
Two new noncentrosymmetric (NCS) polar oxides, BaMgTe2O7 and BaZnTe2O7, have
been synthesized and characterized, with their crystal structures determined by single …

New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O …

J Yeon, SH Kim, SD Nguyen, H Lee… - Inorganic …, 2012 - ACS Publications
Five new vanadium selenites, Ca2 (VO2) 2 (SeO3) 3 (H2O) 2, Sr2 (VO2) 2 (SeO3) 3, Ba
(V2O5)(SeO3), Sr4 (VO2) 2 (SeO3) 4 (Se2O5), and Pb4 (VO2) 2 (SeO3) 4 (Se2O5), have …

Effect of halogen (Cl, Br) on the symmetry of flexible perovskite-related framework

C Bai, H Yu, S Han, S Pan, B Zhang, Y Wang… - Inorganic …, 2014 - ACS Publications
The perovskite structure is a good candidate for the design of functional materials. On the
basis of the combination of B6O13 groups and XM6 (X= Cl, Br; M= alkali metals) octahedra …

A Self‐Assembly of New Cobalt Coordinating Polymer Based on Fluorinated Secondary Building Unit and Pyrazine

ME Buzoverov, EK Lermontova… - European Journal of …, 2024 - Wiley Online Library
The direct two‐step synthesis of new coordination polymer [Co2 (pyz)(tfa) 2 (dmf) 6
(H2O)][Co3 (μ3‐F)(tfa) 6 (pyz)(dmf)] 2⋅ 2dmf,(where pyz= pyrazine, Htfa= trifluoroacetic …

Synthesis, characterization and magnetic properties of four new organically templated metal sulfates [C 5 H 14 N 2][M II (H 2 O) 6](SO 4) 2,(MII= Mn, Fe, Co, Ni)

F Hajlaoui, H Naïli, S Yahyaoui, MM Turnbull… - Dalton …, 2011 - pubs.rsc.org
A series of novel organically templated metal sulfates,[C5H14N2][MII (H2O) 6](SO4) 2 with
(MII= Mn (1), Fe (2), Co (3) and Ni (4)), have been successfully synthesized by slow …