Synergistic passivation with multi-dentate 2, 6-pyridinedicarboxylic acid for high-performance perovskite solar cells
YL Li, X Liu, L Jin, J Zhou, W Fu - Journal of Materials Chemistry C, 2023 - pubs.rsc.org
Organic hybrid metal halide perovskite solar cells (PSCs) are considered a promising
photovoltaic technique, because of their strikingly optoelectronic characteristics and simple …
photovoltaic technique, because of their strikingly optoelectronic characteristics and simple …
Molecular geometry, NBO analysis, Hyperpolarizability and HOMO-LUMO energies of 2-azido-1-phenylethanone using Quantum chemical calculations
J Prashanth, G Ramesh, JL Naik, JK Ojha… - Materials Today …, 2016 - Elsevier
Abstract The Fourier Transform Infrared (FTIR) spectrum of 2-azido-1-phenylethanone (APE)
has been recorded in the range 4000-400 cm-1 respectively. The optimized geometry of the …
has been recorded in the range 4000-400 cm-1 respectively. The optimized geometry of the …
Density functional theory investigation of some pyridine dicarboxylic acids derivatives as corrosion inhibitors
The corrosion inhibition capability of four pyridine dicarboxylic acids was studied using the
density functional theory (DFT) method at 6-311G (d, p) basis set. The molecular and …
density functional theory (DFT) method at 6-311G (d, p) basis set. The molecular and …
Spectroscopic investigation on structure (monomer and dimer), molecular characteristics and comparative study on vibrational analysis of picolinic and isonicotinic …
G Ramesh, BV Reddy - Journal of Molecular Structure, 2018 - Elsevier
In this investigation, the monomeric structure is determined for picolinic and isonicotinic
acids based on geometry optimization for one of the four possible conformers and …
acids based on geometry optimization for one of the four possible conformers and …
DFT and TDDFT exploration on electronic transitions and bonding aspect of DPA and PTDC ligated transition metal complexes
M Ahmed, SS Malhotra, O Yadav, Monika… - Journal of Molecular …, 2024 - Springer
Context In this study, we have investigated the structure, reactivity, bonding, and electronic
transitions of DPA and PDTC along with their Ni-Zn complexes using DFT/TD-DFT methods …
transitions of DPA and PDTC along with their Ni-Zn complexes using DFT/TD-DFT methods …
Zinc (II) complex: Spectroscopic, physicochemical calculations, anti-inflammatory and in silico molecular docking studies
R Konakanchi, KP Rao, GN Reddy… - Journal of Molecular …, 2022 - Elsevier
As a continuation of the work in the present article, we described the spectroscopic and
physicochemical properties of the synthesized Zn (II)-2-amino-3-pyridinecarboxaldehyde …
physicochemical properties of the synthesized Zn (II)-2-amino-3-pyridinecarboxaldehyde …
Construction of rod-like cobalt-pyridinedicarboxylic acid/MXene nanosheets composites for hydrogen evolution reaction and supercapacitor
Y Han, Z Liu, C Wang, L Guo, Y Wang - Journal of Colloid and Interface …, 2024 - Elsevier
Metal-organic frameworks (MOFs) have attracted considerable attention in the field of
energy storage and conversion due to their large specific surface area, regulatable pore …
energy storage and conversion due to their large specific surface area, regulatable pore …
Investigation of Structures, FTIR, FT-Raman, In Vivo Anti-Inflammatory, Molecular Docking and Molecular Characteristics of 2-Amino-3-Pyridine Carboxaldehyde and …
R Konakanchi, P Jyothi, LR Kotha - Polycyclic Aromatic …, 2021 - Taylor & Francis
In this work, the FT-Raman and FTIR spectra of synthesized molecules, 2-amino-3-pyridine
carboxaldehyde (APC) and Cu (II) complex of 2-amino-3-pyridine carboxaldehyde (Cu (II) …
carboxaldehyde (APC) and Cu (II) complex of 2-amino-3-pyridine carboxaldehyde (Cu (II) …
Molecular structure and vibrational analysis of 2, 5-pyridine-dicarboxylic acid using experimental and theoretical methods
JL Naik, BV Reddy - IOP Conference Series: Materials Science …, 2018 - iopscience.iop.org
Abstract The FTIR and FT-Raman spectra of 2, 5-pyridine-dicarboxylic acid (PDA) has been
recorded in the range 4000-450 cm-1 and 4000-50 cm-1, respectively. The optimized …
recorded in the range 4000-450 cm-1 and 4000-50 cm-1, respectively. The optimized …
Barrier potentials, molecular structure, force filed calculations and quantum chemical studies of some bipyridine di-carboxylic acids using the experimental and …
J Prashanth, R Konakanchi… - Molecular …, 2019 - Taylor & Francis
ABSTRACT FT-IR and FT-Raman spectra of 2, 2′-bipyridine-3, 3′-dicarboxylic acid
(B3DA), 2, 2′-bipyridine-4, 4′-dicarboxylic acid (B4DA) and 2, 2′-bipyridine-5, 5 …
(B3DA), 2, 2′-bipyridine-4, 4′-dicarboxylic acid (B4DA) and 2, 2′-bipyridine-5, 5 …