Ganes Shukri
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View article: Effect of Iron-Alloyed Concentration Modification on Intercalation Voltage in Sodium-ion Battery Cathodes Na<sub>x</sub>V<sub>2-y</sub> Fe<sub>y</sub> (PO<sub>4</sub>)<sub>3</sub>
Effect of Iron-Alloyed Concentration Modification on Intercalation Voltage in Sodium-ion Battery Cathodes Na<sub>x</sub>V<sub>2-y</sub> Fe<sub>y</sub> (PO<sub>4</sub>)<sub>3</sub> Open
The NASICON-type Na 3 V 2 (PO 4 ) 3 (NVP) is a promising cathode material for sodium-ion batteries (SIBs), recognized for its high sodium conductivity, thermal stability, and energy density. The 3D NASICON framework supports efficient Na-i…
View article: Prediction of Intercalation Voltage Variation in Ti-and Cr-doped Na<sub>x</sub>V<sub>1.5</sub>M<sub>0.5</sub>(PO<sub>4</sub>)<sub>3</sub> (M=Ti, Cr) as Sodium-Ion Battery Cathode
Prediction of Intercalation Voltage Variation in Ti-and Cr-doped Na<sub>x</sub>V<sub>1.5</sub>M<sub>0.5</sub>(PO<sub>4</sub>)<sub>3</sub> (M=Ti, Cr) as Sodium-Ion Battery Cathode Open
By means of Density Functional Theory (DFT) calculations, we investigate the effect of Titanium and Chromium doping on the Na intercalation voltage (V int ) profile in Na x V 1.5 M 0.5 (PO 4 ) 3 (with M=Ti, Cr and X = 4.0, 3.0, 2.0 and 1.0…
View article: The Influence of Nickel and Cobalt Alloy Modifications on Intercalation Voltage in Sodium-Ion Battery Cathodes Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>
The Influence of Nickel and Cobalt Alloy Modifications on Intercalation Voltage in Sodium-Ion Battery Cathodes Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> Open
The Sodium Super Ionic CONductor (NaSICON) Na 3 V 2 (PO4) 3 / NVP is a promising and extensively researched cathode for Na-ion battery due to its rapid Na + diffusion, good structural stability and high energy density. On the other hand, V…
View article: On the Variation of Intercalation Voltage in Si-doped (Na<sub>3+y</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3-y</sub>(SiO<sub>4</sub>) <sub>y</sub>) Cathode Material: A First-Principles Study
On the Variation of Intercalation Voltage in Si-doped (Na<sub>3+y</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3-y</sub>(SiO<sub>4</sub>) <sub>y</sub>) Cathode Material: A First-Principles Study Open
The Na 3 V 2 (PO 4 ) 3 (i.e. NVP) is a Natrium Super-ionic Conductor (NaSICON) type compound which provides a 3D open framework that has strong covalent bonds, making this material a promising cathode material with high-power density. Incr…
View article: Effect Of Manganese Alloy Concentration on the Intercalation Voltage Variation in Na<sub>3</sub>V<sub>2-x</sub>Mn<sub>x</sub>(PO<sub>4</sub>)<sub>3</sub> Cathode Material
Effect Of Manganese Alloy Concentration on the Intercalation Voltage Variation in Na<sub>3</sub>V<sub>2-x</sub>Mn<sub>x</sub>(PO<sub>4</sub>)<sub>3</sub> Cathode Material Open
Vanadium as one of the components in the Na 3 V 2 (PO 4 ) 3 (NVP) cathode Na-ion batteries material is a toxic element and has limited natural abundance. Partial or even complete replacement of vanadium without significantly sacrificing th…
View article: Detection of Ammonium Ion by An Electrochemical Sensor Based on Cu-BTC
Detection of Ammonium Ion by An Electrochemical Sensor Based on Cu-BTC Open
There is a growing interest in utilizing metal-organic frameworks (MOFs) for the development of electrochemical sensors with superior performance. In this work, a study on the detection of ammonium ion (NH 4 + ) on metal-organic frameworks…
View article: Effects of Cr Atom Adsorption Configurations on Anatase Tio2(101) Toward Methane-to-Methanol Conversion Mechanism
Effects of Cr Atom Adsorption Configurations on Anatase Tio2(101) Toward Methane-to-Methanol Conversion Mechanism Open
View article: DFT study on gas-phase decomposition of ethylene carbonate in the presence of LiPF<sub>6</sub>, LiBF<sub>4</sub>, PF<sub>6</sub> <sup>-</sup>, and BF<sub>4</sub> <sup>-</sup>
DFT study on gas-phase decomposition of ethylene carbonate in the presence of LiPF<sub>6</sub>, LiBF<sub>4</sub>, PF<sub>6</sub> <sup>-</sup>, and BF<sub>4</sub> <sup>-</sup> Open
The decomposition of Li-ion battery (LIB) electrolyte has been a well-known challenge that needs to be overcome. The most common electrolyte on lithium-ion batteries is LiPF 6 which has all-balanced properties, while LiBF 4 has been proven…
View article: DFT study of lithium diffusion in pristine La<sub>2</sub>O<sub>3</sub>
DFT study of lithium diffusion in pristine La<sub>2</sub>O<sub>3</sub> Open
Surface coating can suppress side reactions between electrode and electrolyte in Lithium-Ion Batteries (LIBs) but may also affect the Li mobility when shuttling into / out from the electrode of a LIB. Lanthanum Oxide (La 2 O 3 ) coating ha…
View article: Anisotropic Li diffusion in pristine and defective ZnO
Anisotropic Li diffusion in pristine and defective ZnO Open
We study the Li interstitial diffusion in pristine and defective ZnO bulk by means of first-principles density functional theory (DFT) coupled with Nudged Elastic Band (NEB) calculations. We consider three types of point defects, i.e., oxy…
View article: Ethylene Carbonate Adsorption and Decomposition on Pristine and Defective ZnO (1010) Surface: A First-Principles Study
Ethylene Carbonate Adsorption and Decomposition on Pristine and Defective ZnO (1010) Surface: A First-Principles Study Open
Fundamental understanding of the reactivity between coating material of Li-ion battery cathode and electrolyte is important in order to obtain suitable coating candidates. Herein, we study ethylene carbonate (EC) adsorption and decompositi…
View article: Ligand size effects in two-dimensional hybrid copper halide perovskites crystals
Ligand size effects in two-dimensional hybrid copper halide perovskites crystals Open
View article: Surface Interaction between Ethylene, Hydroxide Ion, and Titanium Dioxide Anatase (001): A First Principle Density Functional Theory Study
Surface Interaction between Ethylene, Hydroxide Ion, and Titanium Dioxide Anatase (001): A First Principle Density Functional Theory Study Open
This study covers surface interaction between ethylene, hydroxide ion, and Ti 5C adsorption site of titanium dioxide anatase (001).The result of the relaxation suggests that stability was reached on Ti 5C site with the adsorption energy of…