Kapil Dhaka

ORCID: 0000-0001-7684-2122
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About
Contact & Profiles
Research Areas
  • Electrocatalysts for Energy Conversion
  • Advanced Photocatalysis Techniques
  • Catalytic Processes in Materials Science
  • Fuel Cells and Related Materials
  • Ammonia Synthesis and Nitrogen Reduction
  • Advanced battery technologies research
  • Nanocluster Synthesis and Applications
  • Advanced Chemical Physics Studies
  • Boron and Carbon Nanomaterials Research
  • Magnetic properties of thin films
  • Multiferroics and related materials
  • Electrochemical Analysis and Applications
  • Electronic and Structural Properties of Oxides
  • Inorganic Chemistry and Materials
  • Molecular Junctions and Nanostructures
  • Advancements in Battery Materials
  • nanoparticles nucleation surface interactions
  • Graphene research and applications
  • Chalcogenide Semiconductor Thin Films
  • Semiconductor materials and devices
  • Analytical Chemistry and Sensors
  • Ga2O3 and related materials
  • Nanomaterials for catalytic reactions
  • Fluoride Effects and Removal
  • Nanowire Synthesis and Applications

University of Duisburg-Essen
2024-2025

Technion – Israel Institute of Technology
2018-2023

Poultry Research Institute
2015-2016

Birla Institute of Technology and Science, Pilani
2012-2016

Institut Teknologi dan Sains Mandala
2014-2016

Carbon supported nanoparticles of monometallic Ni catalyst and binary Ni-Transition Metal (Ni-TM/C) electrocatalytic composites were synthesized via the chemical reduction method, where TM stands for doping elements Fe, Co, Cu. The composition, structure morphology Ni-TM/C materials characterized by X-ray photoelectron spectroscopy (XPS), diffraction (XRD), transmission electron microscopy (TEM), scanning (STEM) energy-dispersive (EDS). electrochemical properties towards hydrogen oxidation...

10.3390/catal8100454 article EN Catalysts 2018-10-15

The evolution of electronic structures, properties and stabilities neutral cationic molybdenum encapsulated germanium clusters (Mo@Ge<sub>n</sub>, <italic>n</italic> = 1 to 20) has been investigated.

10.1039/c4ra11825a article EN RSC Advances 2014-01-01

The current DFT based study of CrGe<sub>n</sub>(<italic>n</italic>= 1–20) series shows that the enhanced stability ground state clusters CrGe<sub>10</sub>and CrGe<sub>14</sub>can be explained by means 18-electron rule. However, it cannot applied for highly symmetric CrGe<sub>12</sub>cluster.

10.1039/c5ra13849c article EN RSC Advances 2015-01-01

Understanding the mechanisms of charge transport in ternary and higher order spinels would enable design principles for enhancing their electronic electrochemical properties energy applications. Here we investigate CoxMn3–xO4 spinel system determine relationship between cation site occupation, based on octahedral site, donor–acceptor formalization introduced polaron hopping model. We employ synchrotron X-ray emission spectroscopy to characterize pairs lattice. find that stochiometric volcano...

10.1021/acs.chemmater.9b01198 article EN Chemistry of Materials 2019-04-30

The world's shift to the production of energy from sustainable sources requires development large storage. One best methods store surplus produced environmentally friendly is as elemental hydrogen, using electrolysis in alkaline electrolyzers. Currently, this technology hampered by sluggish oxygen evolution reaction (OER), which limits its overall efficiency and durability. most popular directions develop cheap, durable, active platinum-group-metal-free (PGM-free) catalysts. In category,...

10.1021/acscatal.0c00105 article EN ACS Catalysis 2020-03-30

Abstract Trimetallic double hydroxide NiFeCo−OH is prepared by coprecipitation, from which three different catalysts are fabricated heat treatments, all at 350 °C maximum temperature. Among the catalysts, one a heating and cooling rate of 2 min −1 in N atmosphere (designated NiFeCo−N ‐2 °C) displays best catalytic properties after stability testing, exhibiting high current density (9.06 mA cm −2 320 mV), low Tafel slope (72.9 mV dec ), good (over 20 h), turnover frequency (0.304 s mass...

10.1002/cssc.202002946 article EN ChemSusChem 2021-02-10

Abstract Surface hydroxyls (OH) are crucial for heterogeneous catalysis in water. However, they commonly characterized at solid–gas interfaces (e.g., FTIR, XPS, TGA), which may not represent the surface aqueous environments. Here, OH of five catalytically relevant oxides (Al 2 O 3 , ZrO TiO Fe Co 4 ) quantified by substituting them with F − ions pH 3–10, where fluoride (F) density is evaluated XPS using geometry factor spherical particles. These results show that peaks around across all...

10.1002/admi.202400237 article EN cc-by Advanced Materials Interfaces 2024-06-27

The realization of proton exchange membrane fuel cell (PEMFC) as a replacement for combustion engines and batteries in transportation applications demands catalyst that is not only active but also highly stable throughout the vehicle's longevity. Alloys platinum with alkaline earth metals have been identified to be owing their high vacancy formation energies, synthesis nanoparticle form has proven challenging, which discourages most researchers from exploring this area. In work, synthesis,...

10.1002/smll.202503692 article EN PubMed 2025-06-05

Electrocatalytic water-splitting is considered as a highly promising technology for the sustainable production of hydrogen.

10.1039/c9se00221a article EN Sustainable Energy & Fuels 2019-01-01

Surface modification of heterogeneous photocatalysts with single-atom catalysts (SACs) is an attractive approach for achieving enhanced photocatalytic performance. However, there limited knowledge the mechanism enhancement in SAC-modified photocatalysts, which makes rational design high-performance SAC-based challenging. Herein, a series aerobic degradation pollutants based on anatase TiO2 modified various low-cost, non-noble SACs (vanadate, Cu, and Fe ions) reported. The most active...

10.1002/advs.202303571 article EN cc-by Advanced Science 2023-10-27

Four different types (Type 1 to Type 4) of empty and transition metal (Cr, Mn Fe) doped silicon nanotubes have been studied. The calculated band structures DOS assigned them as metallic, semiconductor, semi-metallic half-metallic depending upon the combination type nanotube doping.

10.1039/c6dt01252c article EN Dalton Transactions 2016-01-01

Several composites of metal organic frameworks with electrocatalytic activity toward OER and HER were studied. A trend the among different metals was observed for both reactions confirmed by DFT calculations.

10.1039/d0nr07875a article EN Nanoscale 2021-01-01

Abstract Ammonia has attracted considerable interest as a hydrogen carrier that can help decarbonize global energy networks. Key to realizing this is the development of low temperature ammonia fuel cells for on‐demand generation electricity. However, efficiency such systems significantly impaired by sluggish oxidation reaction (AOR) and oxygen reduction (ORR). Here, we report design bifunctional Ag 2 Pt 3 TiS 6 electrocatalyst facilitates both reactions at mass activities exceeding...

10.1002/anie.202418691 article EN cc-by-nc Angewandte Chemie International Edition 2024-11-26

Abstract Two‐dimensional transistors are promising candidates for the next generation of nanoscale devices. Like other alternatives, they also encounter problems such as instability under standard condition (STP), low channel mobility, small band gaps, and difficulty to integrate metal contacts. The latter poses a great challenge since metal/semiconductor interface significantly affects transistor‘s performance. Some these obstacles can be solved by using two‐dimensional transition...

10.1002/ijch.201900105 article EN Israel Journal of Chemistry 2019-12-18

Nickel oxy-hydroxide (β-NiOOH) is one of the best used inorganic catalysts for water oxidation reaction and energy conversion. Despite broad interest, establishing what type vacancy defects created therefore whether this material n-type or p-type has not yet been confirmed. In article, we examine defect chemistry ternary compound β-NiOOH using density functional theory with three different approaches: PBE + U as well nonlocal screened-exchange hybrid functionals PBE0 HSE06. We have...

10.1021/acs.jpcc.9b01750 article EN The Journal of Physical Chemistry C 2019-07-09

Carbon supported nanoparticles of monometallic Ni catalyst and binary Ni-Transition Metal (Ni-TM/C) electrocatalytic composites were synthesized via chemical reduction method, where TM stands for the doping elements Fe, Co, Cu. The composition, structure morphology Ni-TM/C materials characterized by X-ray photoelectron spectroscopy (XPS), diffractometry (XRD), transmission electron microscopy (TEM), scanning (STEM) energy-dispersive (EDS). electrochemical properties towards hydrogen...

10.20944/preprints201809.0532.v1 preprint EN 2018-09-27

With a goal to produce magnetic moment in Cr2 Doped Gen clusters which will be useful for practical applications, we have considered the structure and properties of Pure Germanium substitutionally doped it with Cr dimer Cr2@Gen clusters. As first step calculation, geometrical optimizations nanoclusters been done. These optimized geometries used calculate average binding energy per atom (BE), HOMO-LUMO gap hence relative stability parameters demonstrated as structural electronic Gap between...

10.1063/1.4873009 article EN AIP conference proceedings 2014-01-01

Abstract Ammonia has attracted considerable interest as a hydrogen carrier that can help decarbonize global energy networks. Key to realizing this is the development of low temperature ammonia fuel cells for on‐demand generation electricity. However, efficiency such systems significantly impaired by sluggish oxidation reaction (AOR) and oxygen reduction (ORR). Here, we report design bifunctional Ag 2 Pt 3 TiS 6 electrocatalyst facilitates both reactions at mass activities exceeding...

10.1002/ange.202418691 article EN cc-by-nc Angewandte Chemie 2024-11-26
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