Search Results - "Senthamaraikannan, Thillai Govindaraja"

Hierarchically nanofibers embedded with NiMnS nanocrystals as anode for high-performance lithium-ion batteries: Experimental and theoretical studies by Bandyopadhyay, Parthasarathi, Govindaraja Senthamaraikannan, Thillai, Lim, Dong-Hee, Sahoo, Gopinath, Baasanjav, Erdenebayar, Kim, Jae-Kwang, Mun Jeong, Sang

“…[Display omitted] •A series of NiMnS/carbon fibers (CFs) was made as anodes by regulating Ni/Mn ratio.•NiMnS/CFs delivered the final discharge capacities of…”
Get full text

Role of Chemical Structure of Support in Enhancing the Catalytic Activity of a Single Atom Catalyst Toward NRR: A Computational Study by Senthamaraikannan, Thillai Govindaraja, Kaliaperumal, Selvaraj, Krishnamurty, Sailaja

“…Using the periodic density functional theory–based methodology, we propose a potential catalytic system for dinitrogen activation, viz., single metal atoms…”
Get full text

Nitrogen reduction reaction enhanced by single-atom transition metal catalysts on functionalized graphene: A first-principles study by Senthamaraikannan, Thillai Govindaraja, Lim, Dong-Hee

“…Ammonia production seeks alternatives to the conventional Haber-Bosch process, with nitrogen reduction reaction (NRR) emerging promising. Addressing the…”
Get full text

CO 2 Reduction to C 1 and C 2 Compounds on Sulfur-Deficient Mackinawite (FeS): A Density Functional Theory Study by Senthamaraikannan, Thillai Govindaraja, Lim, Dong-Hee

Get full text

Construction of Ternary Zn0.5Cu0.5Co2O4 Spinel Structure on Nickel Foam: A Comprehensive Theoretical and Experimental Study from Single to Ternary Metal Oxides for High-Energy-Density Asymmetric Supercapacitor Application by Yesuraj, Johnbosco, Senthamaraikannan, Thillai Govindaraja, Lim, Dong-Hee, Kim, Kibum

“…Developing nanostructured multi-transition metal-based spinel architectures represents a strategic approach for boosting the energy density of supercapacitors…”
Get full text

Construction of Ternary Zn 0.5 Cu 0.5 Co 2 O 4 Spinel Structure on Nickel Foam: A Comprehensive Theoretical and Experimental Study from Single to Ternary Metal Oxides for High‐Energy‐Density Asymmetric Supercapacitor Application by Yesuraj, Johnbosco, Senthamaraikannan, Thillai Govindaraja, Lim, Dong‐Hee, Kim, Kibum

“…Abstract Developing nanostructured multi‐transition metal‐based spinel architectures represents a strategic approach for boosting the energy density of…”
Get full text

Quasi-solid-state hybrid supercapacitors assembled by Ni-Co-P@C/Ni-B nanoarrays and porous carbon nanofibers with N-doped C nanocages by Baasanjav, Erdenebayar, Senthamaraikannan, Thillai Govindaraja, Bandyopadhyay, Parthasarathi, Lim, Dong-Hee, Jeong, Sang Mun

“…[Display omitted] •The active sites-rich Ni-Co-P@C/Ni-B material enables fast transfer of electron/ion.•DFT results verify stable OH* adsorption energy and…”
Get full text

Peanut-like hierarchical carbon nanofibers encapsulated carbon-coated NiCo/NiCoO hollow spheres as high-performance anode materials for Li-ion batteries and theoretical insights by Bandyopadhyay, Parthasarathi, Senthamaraikannan, Thillai Govindaraja, Baasanjav, Erdenebayar, Lim, Dong-Hee, Jeong, Sang Mun

“…Transition metal oxides (TMOs) are considered favorable anode materials for lithium-ion batteries (LIBs); however, their poor conductivity, low-rate…”
Get full text

Porous hollow high entropy metal oxides (NiCoCuFeMg)3O4 nanofiber anode for high-performance lithium-ion batteries by Wang, Xuan Liang, Kim, Eun Mi, Senthamaraikannan, Thillai Govindaraja, Lim, Dong-Hee, Jeong, Sang Mun

“…[Display omitted] •Developed porous hollow (NiCoCuFeMg)3O4 HEO fibers for LIB anodes.•Achieved a high reversible capacity of 907 mA h g−1 at 2 A g−1.•Hollow…”
Get full text

Surface hydroxyl group-enriched nickel cobalt molybdate hydrate for improved oxygen evolution activity in an anion exchange membrane water electrolyzer by Karmakar, Ayon, Senthamaraikannan, Thillai Govindaraja, Baasanjav, Erdenebayar, Bandyopadhyay, Parthasarathi, Jin, Bo, Park, Yoo Sei, Lim, Dong-Hee, Jeong, Sang Mun

“…The present report depicts a simple one-step reflux method to fabricate nickel cobalt molybdate hydrate (NCMH) nanostructured rods in gram-scale (>1.8 g). The…”
Get full text

Enhanced reversibility of fluorine substituted bis-BN cyclohexane for hydrogen storage: A first-principles approach by Min, Yuri, Senthamaraikannan, Thillai Govindaraja, Shin, Dong Yun, Lee, Ji Hye, Song, Taek Yong, Lim, Dong-Hee

“…Liquid organic hydrogen carrier (LOHC) technology, in which hydrogen is captured in a liquid-phase compound, is a key enabler in realizing hydrogen economy…”
Get full text

Experimental and Theoretical Insights of Anion Regulation in MOF-Derived Ni–Co-Based Nanosheets for Supercapacitors and Anion Exchange Membrane Water Electrolyzers by Bandyopadhyay, Parthasarathi, Senthamaraikannan, Thillai Govindaraja, Baasanjav, Erdenebayar, Karmakar, Ayon, Park, Yoo Sei, Lim, Dong-Hee, Jeong, Sang Mun

“…The anionic components have a significant role in regulating the electrochemical properties of mixed transition-metal (MTM)-based materials. However, the…”
Get full text

Fundamental Mechanisms of Mercury Removal by FeCl 3 - and CuCl 2 -Impregnated Activated Carbons: Experimental and First-Principles Study by Lim, Dong-Hee, Choi, Sinang, Park, Jeongmin, Senthamaraikannan, Thillai Govindaraja, Min, Yuri, Lee, Sang-Sup

Get full text

Dehydrogenation of ethylene diamine monoborane adducts and their cyclic products (monomers, dimers, and trimers): Potential liquid organic hydrogen carriers by Senthamaraikannan, Thillai Govindaraja, Min, Yuri, Lee, Ji Hye, Song, Taek Yong, Lim, Dong-Hee

“…The dehydrogenation mechanisms of ethylene diamine monoborane (EDMB) adducts and its derivatives having CH3, Cl, F, NH2, OCH3, CN, and H substituents at two…”
Get full text

Graphite-supported single copper catalyst for electrochemical CO2 reduction: A first-principles approach by Lee, Chang-Mi, Senthamaraikannan, Thillai Govindaraja, Shin, Dong Yun, Kwon, Jeong An, Lim, Dong-Hee

“…[Display omitted] •Electrochemical reduction of CO2 on Cu(111) surface and Cu/G catalysts.•The potential-limiting step (Ebarr) strongly prefers the favorable…”
Get full text

Fundamental Mechanisms of Mercury Removal by FeCl3- and CuCl2‑Impregnated Activated Carbons: Experimental and First-Principles Study by Lim, Dong-Hee, Choi, Sinang, Park, Jeongmin, Senthamaraikannan, Thillai Govindaraja, Min, Yuri, Lee, Sang-Sup

“…Experimental and first-principles studies were conducted to understand the adsorption mechanism of elemental mercury on FeCl3- and CuCl2-impregnated activated…”
Get full text

Unveiling the positive effect of mineral induced natural organic matter (NOM) on catalyst properties and catalytic dechlorination performance: An experiment and DFT study by P, Anil Kumar Reddy, Senthamaraikannan, Thillai Govindaraja, Lim, Dong-Hee, Choi, Minhee, Yoon, Sunho, Shin, Jaegwan, Chon, Kangmin, Bae, Sungjun

“…•Effect of Z-NOM (contain in natural zeolite) on Ni/Fe bimetal catalyst was studied.•Z-NOM enhanced the aerobic stability, dispensability and mobility of…”
Get full text

One-step synthesis of zinc oxide-carbon microspheres decorated with multi-voids and carbon nanotubes via spray pyrolysis for enhanced stability in lithium metal anodes by Kim, Yeong Beom, Seo, Hyo Yeong, Senthamaraikannan, Thillai Govindaraja, Cho, Jung Sang, Kang, Yun Chan, Lim, Dong-Hee, Park, Gi Dae

“…The lithium metal anode has emerged as a promising candidate for future high-energy-density batteries. However, its practical application is hindered by the…”
Get full text

Morphology-dependent adsorption energetics of Ru nanoparticles on hcp-boron nitride (001) surface - a first-principles study by Senthamaraikannan, Thillai Govindaraja, Yoon, Chang Won, Lim, Dong-Hee

“…Active B 5 -sites on Ru catalysts can be exploited for various catalytic applications; in particular, the epitaxial formation of Ru nanoparticles with…”
Get full text

CO2 Reduction to C1 and C2 Compounds on Sulfur-Deficient Mackinawite (FeS): A Density Functional Theory Study by Senthamaraikannan, Thillai Govindaraja, Lim, Dong-Hee

“…Mackinawite (FeS) has sulfur-deficient surfaces and may have played a role in the prebiotic chemistry of the Earth because of its catalytic CO2-to-organic…”
Get full text