Jagadish Kumar
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View article: Unraveling the electronic, vibrational, thermodynamic, optical and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ from first-principles calculations
Unraveling the electronic, vibrational, thermodynamic, optical and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ from first-principles calculations Open
We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ using the first-principles calculation based on the density functional theory. It also shows struct…
View article: Structural, electronic, vibrational, optical, piezoelectric, thermal and thermoelectric properties of BCZT from first-principles calculations
Structural, electronic, vibrational, optical, piezoelectric, thermal and thermoelectric properties of BCZT from first-principles calculations Open
Perovskite material such as BCZT (Ba$_{0.875}$Ca$_{0.125}$(Zr$_{0.125}$Ti$_{0.875}$)O$_{3}$) is well known for its high value of piezoceramic properties and Curie temperature which has potential applications in sensors, actuators, optoelec…
View article: Synergistic efficiency of modified banana leaf derived cellulose-g-C<sub>3</sub>N<sub>4</sub> hybrid composite: a sustainable approach for visible-light-driven photodegradation of dyes
Synergistic efficiency of modified banana leaf derived cellulose-g-C<sub>3</sub>N<sub>4</sub> hybrid composite: a sustainable approach for visible-light-driven photodegradation of dyes Open
Synthesis of g-C 3 N 4 and modified banana-leaf derived cellulose composite for visible light driven photodegradation application of methylene blue (MB) and rhodamine B dyes.
View article: <i>Nyctanthes arbor-tristis</i> L. mediated sustainable synthesis of α-Fe <sub>2</sub> O <sub>3</sub> /g-C <sub>3</sub> N <sub>4</sub> S-scheme heterojunctions for enhanced photocatalytic degradation of tetracycline hydrochloride: a mechanistic insight and DFT study
<i>Nyctanthes arbor-tristis</i> L. mediated sustainable synthesis of α-Fe <sub>2</sub> O <sub>3</sub> /g-C <sub>3</sub> N <sub>4</sub> S-scheme heterojunctions for enhanced photocatalytic degradation of tetracycline hydrochloride: a mechanistic insight and DFT study Open
S-scheme α-Fe 2 O 3 /g-C 3 N 4 photocatalyst was synthesized using Nyctanthes arbor-tristis L. extract, exhibiting enhanced charge separation and tetracycline degradation, offering a sustainable approach for wastewater treatment under visi…
View article: Anticancer efficacy of bis-heteroleptic iridium(<scp>iii</scp>) complexes with difluoro-substituted phenylpyridine ligands
Anticancer efficacy of bis-heteroleptic iridium(<span>iii</span>) complexes with difluoro-substituted phenylpyridine ligands Open
Three cyclometallated Ir( iii ) complexes made of 2-(2,4-difluorophenyl)pyridine (F 2 ppy), along with pyridine-2-aldoxime and its two derivatives, were prepared and explored as anticancer agents against MDAMB, HT-29 and LN-229 cell lines.
View article: Sustainable removal of malachite green using cellulose extracted from waste bamboo culm sheath
Sustainable removal of malachite green using cellulose extracted from waste bamboo culm sheath Open
Removal of malachite green using cellulose extracted from waste bamboo culm sheath as a sustainable and lucrative approach.
View article: CCDC 2225457: Experimental Crystal Structure Determination
CCDC 2225457: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Cationic Iridium(Iii) Organometallic Complexes Containing 2,3-Di(Pyridine-2-Yl)Quinoxaline as Ancillary Ligand and Their Anticancer Properties
Cationic Iridium(Iii) Organometallic Complexes Containing 2,3-Di(Pyridine-2-Yl)Quinoxaline as Ancillary Ligand and Their Anticancer Properties Open
View article: Structural, Dielectric and Vibration Properties of Nio Nanocrystalline Powder Prepared by Ball Milling Method
Structural, Dielectric and Vibration Properties of Nio Nanocrystalline Powder Prepared by Ball Milling Method Open
View article: Late Time Behavior of the Cosmological Model in Modified Theory of Gravity
Late Time Behavior of the Cosmological Model in Modified Theory of Gravity Open
We report a viable exponential gravity model for the accelerated expansion of the universe in Bianchi VIh space-time. By considering the estimated physical parameters, the cosmological models are constructed and analyzed in detail. We foun…
View article: Interface properties of CsPbBr<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e253" altimg="si29.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math>/CsPbI<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e261" altimg="si29.svg"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> perovskite heterostructure for solar cell
Interface properties of CsPbBr/CsPbI perovskite heterostructure for solar cell Open
View article: Epidemiological study of novel coronavirus (COVID-19): macroscopic and microscopic analysis
Epidemiological study of novel coronavirus (COVID-19): macroscopic and microscopic analysis Open
Background: This study aimed to unravel the microscopic behaviour by introducing health functional for individuals during coronavirus (COVID-19) epidemic and understand the macroscopic behaviour of epidemic infection dynamics by growth mod…
View article: A reductive analysis of a compartmental model for COVID-19: data assimilation and forecasting for the United Kingdom
A reductive analysis of a compartmental model for COVID-19: data assimilation and forecasting for the United Kingdom Open
We introduce a deterministic model that partitions the total population into the susceptible, infected, quarantined, and those traced after exposure, the recovered and the deceased. We hypothesize ‘accessible population for transmission of…
View article: High-Pressure Studies of Hydrogen-Bonded Energetic Material 3,6-Dihydrazino-<i>s</i>-tetrazine Using DFT
High-Pressure Studies of Hydrogen-Bonded Energetic Material 3,6-Dihydrazino-<i>s</i>-tetrazine Using DFT Open
Hydrogen bonding is an important noncovalent interaction that plays a key role in most of the CHNO-based energetic materials, which has a great impact on the structural, stability, and vibrational properties. By analyzing the structural ch…
View article: Modeling the complexity of acoustic emission during intermittent plastic deformation: Power laws and multifractal spectra
Modeling the complexity of acoustic emission during intermittent plastic deformation: Power laws and multifractal spectra Open
Scale-invariant power-law distributions for acoustic emission signals are ubiquitous in several plastically deforming materials. However, power-law distributions for acoustic emission energies are reported in distinctly different plastical…
View article: Central memory CD4+ T cells are preferential targets of double infection by HIV-1
Central memory CD4+ T cells are preferential targets of double infection by HIV-1 Open
View article: General framework for acoustic emission during plastic deformation
General framework for acoustic emission during plastic deformation Open
Despite the long history, so far there is no general theoretical framework\nfor calculating the acoustic emission spectrum accompanying any plastic\ndeformation. We set up a discrete wave equation with plastic strain rate as a\nsource term…
View article: Mechanical stiffening and thermal softening of superionic alkali metal oxides
Mechanical stiffening and thermal softening of superionic alkali metal oxides Open
The mechanical (pressure) and thermal (temperature) dependent nature of superionic cubic M2O (M = Li, Na, K, and Rb) alkali metal oxides is studied. The model Hamiltonian in ab initio theory include long-range Coulomb, charge transfer, cov…