Search Results - "Khan, Tuhin S."

In silico search for novel methane steam reforming catalysts by Xu, Yue, Lausche, Adam C, Wang, Shengguang, Khan, Tuhin S, Abild-Pedersen, Frank, Studt, Felix, Nørskov, Jens K, Bligaard, Thomas

“…This paper demonstrates a method for screening transition metal and metal alloy catalysts based on their predicted rates and stabilities for a given catalytic…”
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Electrochemical Properties of Na0.66V4O10 Nanostructures as Cathode Material in Rechargeable Batteries for Energy Storage Applications by Saroha, Rakesh, Khan, Tuhin S, Chandra, Mahesh, Shukla, Rishabh, Panwar, Amrish K, Gupta, Amit, Haider, M. Ali, Basu, Suddhasatwa, Dhaka, Rajendra S

“…We report the electrochemical performance of nanostructures of Na0.66V4O10 as cathode material for rechargeable batteries. The Rietveld refinement of…”
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CuO as a reactive and reusable reagent for the hydrogenation of nitroarenes by K., Rajendran, N., Pandurangan, C.P., Vinod, Khan, Tuhin S., Gupta, Shelaka, Haider, M. Ali, Jagadeesan, D.

“…[Display omitted] •The spontaneous thermal decomposition of hydrazine to N2 and H2 by CuO is utilized in the in situ chemical reduction of nitroarenes to…”
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Diffusion coefficient and electrochemical performance of NaVO3 anode in Li/Na batteries by Chandra, Mahesh, Khan, Tuhin S., Shukla, Rishabh, Ahamad, Salahuddin, Gupta, Amit, Basu, Suddhasatwa, Haider, M. Ali, Dhaka, R.S.

“…We study Na/Li–ion diffusion and electrochemical performance of NaVO3 (NVO) as anode material in Na/Li–ion batteries with the specific capacity of…”
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The Operating Cycle of NO Adsorption and Desorption in Pd-Chabazite for Passive NOx Adsorbers by Kaushik, Marvi, Shrivastav, Gourav, Khan, Tuhin S, Haider, M Ali, Bhatia, Divesh

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First-Principle Microkinetic Modeling of Ethanol Dehydrogenation on Metal Catalyst Surfaces in Non-oxidative Environment: Design of Bimetallic Alloys by Khan, Tuhin S., Jalid, Fatima, Haider, M. Ali

“…An ab-initio microkinetic model (MKM) was developed to understand the reactivity trend in transitional metal catalysts which are often used for non-oxidative…”
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Study of γ-valerolactone production from hydrogenation of levulinic acid over nanostructured Pt-hydrotalcite catalysts at low temperature by Siddiqui, Nazia, Pendem, Chandrashekar, Goyal, Reena, Khatun, Rubina, Khan, Tuhin S., Samanta, Chanchal, Chiang, Ken, Shah, Kalpit, Ali Haider, M., Bal, Rajaram

“…[Display omitted] •Nano-structured Pt-hydrotalcite catalyst for γ-valerolactone production.•Pt-HT-20 catalyst coverts levulinic acid with >99% selectivity of…”
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Activation of two highly stable molecules – nitrogen and methane to co-produce ammonia and ethylene by Tiwari, Sarojini, Khan, Tuhin S., Tavadze, Pedram, Hu, Jianli

“…•Microwave irradiation is capable of simultaneously activating highly stable molecules – nitrogen and methane.•The catalyst surface plays integral roles in…”
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Acid functionalized ionic liquid catalyzed transformation of non-food biomass into platform chemical and fuel additive by Alam, Md. Imteyaz, De, Sudipta, Khan, Tuhin S., Haider, M. Ali, Saha, Basudeb

“…[Display omitted] •Investigated sustainable route for HMF and EMF synthesis from waste mushroom.•Studied catalytic effectiveness of –SO3H functionalized…”
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The Operating Cycle of NO Adsorption and Desorption in Pd–Chabazite for Passive NO x Adsorbers by Kaushik, Marvi, Shrivastav, Gourav, Khan, Tuhin S, Haider, M. Ali, Bhatia, Divesh

“…Pd-doped chabazite (Pd/CHA) offers unique opportunities to adsorb and desorb NO x in the target temperature range for application as a passive NO x adsorber…”
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Machine Learning Enabled Screening of Single Atom Alloys: Predicting Reactivity Trend for Ethanol Dehydrogenation by Kumar, Amrish, Iyer, Jayendran, Jalid, Fatima, Ramteke, Manojkumar, Khan, Tuhin S., Haider, M. Ali

“…A machine learning (ML) approach implementing the gradient boosting regressor (GBR) algorithm is applied to predict the binding energies of oxygen (EO) and…”
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Microwave-enhanced catalytic ammonia synthesis under moderate pressure and temperature by Wang, Yuxin, Khan, Tuhin S., Wildfire, Christina, Shekhawat, Dushyant, Hu, Jianli

“…In this study, an alternative approach based on microwave-enhanced ammonia synthesis for Haber-Bosch process was carried out under moderate pressure of…”
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Alternate Biobased Route To Produce δ‑Decalactone: Elucidating the Role of Solvent and Hydrogen Evolution in Catalytic Transfer Hydrogenation by Alam, Md. Imteyaz, Khan, Tuhin S, Haider, M. Ali

“…A widely used food and flavor compound, δ-decalactone (DDL), was produced from catalytic transfer hydrogenation of 6-amyl-α-pyrone (6PP), which is a…”
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A Car–Parrinello Molecular Dynamics Simulation Study of the Retro Diels–Alder Reaction for Partially Saturated 2‑Pyrones in Water by Shrivastav, Gourav, Khan, Tuhin S, Agarwal, Manish, Haider, M. Ali

“…2-Pyrones have been identified as potential platform molecules derived from biomass to produce high-value chemicals. Theoretical studies utilizing density…”
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Oxygen Vacancy Mediated Reactivity of CaO/CuO Composite for the Synthesis of Amino‐N‐heterocycles by Rajendran, K., Madampadi, Roshni, Shee, Sayan, Subramaniam, Rameshkumar, Khan, Tuhin S., Gupta, Shelaka, Haider, M. Ali, Jagadeesan, Dinesh

“…Utilising the oxygen‐vacancy‐mediated reactivity of CaO/CuO and hydrazine monohydrate in isopropyl alcohol at 353 K, a variety of amino‐derivatives of…”
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Understanding the Nature of Amino Acid Interactions with Pd(111) or Pd–Au Bimetallic Catalysts in the Aqueous Phase by Gupta, Madhulika, Khan, Tuhin S, Agarwal, Manish, Haider, M. Ali

“…The interaction of methionine (Met) with different bimetallic-segregated surfaces comprising a uniform distribution of strips and islands of Au on the Pd(111)…”
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Highly Efficient ZIF-67-Derived PtCo Alloy–CN Interface for Low-Temperature Aqueous-Phase Fischer–Tropsch Synthesis by Gahtori, Jyoti, Tucker, Chelsea L., Khan, Tuhin S., de Sá Codeço, Camilla, Rocha, Tulio, Bordoloi, Ankur

“…Designing new materials for selective Fischer–Tropsch synthesis (FTS) is an elegant way to enhance local feedstock utilization like biomass and waste. In this…”
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In-silico screening of metal and bimetallic alloy catalysts for SOFC anode at high, intermediate and low temperature operations by Khan, Tuhin S., Hussain, Sarwar, Anjum, Uzma, Ali Haider, M.

“…A microkinetic model (MKM), independent from the assumptions of surface coverage or rate determining steps, was developed to understand reactivity trends of…”
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Reformulation of Gasoline To Replace Aromatics by Biomass-Derived Alkyl Levulinates by Shrivastav, Gourav, Khan, Tuhin S, Agarwal, Manish, Haider, M. Ali

“…In the search for a “green gasoline”, a new reformulation strategy, having no or reduced amount of aromatics, is proposed. Biomass-derived alkyl levulinates…”
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Graphene-Supported Fe/Ni, β‑Mo2C Nanoparticles: Experimental and DFT Integrated Approach to Catalyst Development for Synergistic Hydrogen Production through Lignin-Rich Biomass Reforming and Reduced Shale Gas Flaring by Lalsare, Amoolya D, Khan, Tuhin S, Leonard, Brian, Vukmanovich, Roman, Tavazohi, Pedram, Li, Lili, Hu, Jianli

“…Biomassflare gas synergistic coprocessing is a novel energy conversion technology that aims at harnessing an abundant renewable energy source: biomass and…”
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