Blar i NTNU Open på forfatter "Mahmoodinia, Mehdi"
-
Carbon Formation Mechanisms on Co Surfaces: A DFT Study
Jacobsen, Ida Emilie Malde (Master thesis, 2021)Fisher-Tropsch syntesen (FTS) er en katalytisk prosess hvor syngas omdannes til vann og hydrokarboner som for eksempel lange kjeder av alkaner, alkener og oksygenater. Interessen for FTS har økt på grunn av den økende ... -
Characterization of Coke Formation in The direct Synthesis of Dimethyldichlorosilane
Lasse Svendsen, Chrobak (Master thesis, 2021)Den direkte syntesen av dimetyldiklorsilan har blitt brukt i silikonindustrien i over 60 år. Selv om prosessen er den mest praktiske og økonomiske måten å produsere dimetyldiklorsilan, så er prosessmekanismen fremdeles ... -
Chemical Bonding and Electronic Properties of the Co Adatom and Dimer Interacting with Polyaromatic Hydrocarbons
Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De (Journal article, 2015)The density functional calculations presented here elucidate the nature of the interaction between the Co atom and dimer with a polyaromatic hydrocarbon (PAH). The results are analyzed in terms of structural, electronic, ... -
Effect of Copper Catalyst Content and Zinc Promoter on Carbon Formation in the Direct Synthesis of Methylchlorosilanes
Mahmoodinia, Mehdi; Farooq, Hammad; Røe, Torbjørn; Svenum, Ingeborg-Helene; Venvik, Hilde Johnsen (Journal article; Peer reviewed, 2023)Direct synthesis of methylchlorosilanes (MCS) is a complex solid–gas–solid reaction where solid silicon (Si) reacts with chloromethane (CH3Cl) in the presence of a copper (Cu)-based catalyst, and coke formation by cracking ... -
Effect of CuCl and Zn on Cu3Si Formation and Coke Deposition in the Direct Synthesis of Dimethyldichlorosilane
Farooq, Hammad (Master thesis, 2020)The direct synthesis of dimethyldichlorosilane has been studied for more than 60 years, owing to its significance in the silicones industry. The direct process is a reaction of distinct complexity because of silicon taking ... -
Electronic Structure, Stability, and Chemical Reactivity of Transition-Metal Catalysts Supported by Graphene Nanomaterials
Mahmoodinia, Mehdi (Doctoral theses at NTNU;2017:353, Doctoral thesis, 2017)Graphene, a 2D monolayer of graphite, has emerged as a novel material in many areas, such as catalysis and energy storage devices. Because of fascinating properties, such as remarkable surface area, superior electric ... -
Geometrical flexibility of platinum nanoclusters: impacts on catalytic decomposition of ethylene glycol
Mahmoodinia, Mehdi; Trinh, Thuat; Åstrand, Per-Olof; Tran, Quang Khanh (Journal article; Peer reviewed, 2017)Catalytic decomposition of ethylene glycol on the Pt13 cluster was studied as a model system for hydrogen production from a lignocellulosic material. Ethylene glycol was chosen as a starting material because of two reasons, ... -
High-temperature sulfur capture by a Mn-Mo sorbent: An investigation of regeneration conditions and SO<inf>2</inf> formation and prevention
Ma, Jianyu; Mahmoodinia, Mehdi; Rout, Kumar Ranjan; Blekkan, Edd Anders (Peer reviewed; Journal article, 2023)The regeneration performance of a solid sorbent (alumina-supported 15Mn8Mo) for sulfur capture at high temperature has been studied. The regeneration of the sulfided sorbent was performed by oxidizing at different temperatures ... -
The Impact of Operating Parameters on the Gas-Phase Sulfur Concentration after High Temperature Sulfur Sorption on a Supported Mo-Mn Sorbent
Ma, Jianyu; Mahmoodinia, Mehdi; Rout, Kumar Ranjan; Blekkan, Edd Anders (Journal article; Peer reviewed, 2021)The impact of operating parameters on H2S capture from a syngas mixture by a Mo-promoted Mn-based high-temperature sorbent was investigated. The parameters investigated included temperature, space velocity, H2S concentration ... -
Influence of Carbon Support on Electronic Structure and Catalytic Activity of Pt Catalysts: Binding to the CO Molecule
Mahmoodinia, Mehdi; Åstrand, Per-Olof; Chen, De (Journal article, 2016)Single-atom catalysts, especially with single Pt atoms, exhibit potentially improved catalytic activity as compared to metal clusters and metal surfaces. Here, the atop and bridged bondings of the CO molecule on the Pt/C ... -
Interaction of hydrogen with flat (0001) and corrugated (11–20) and (10–12) cobalt surfaces: Insights from experiment and theory
Weststrate, Kees-Jan; Mahmoodinia, Mehdi; Farstad, Mari Helene; Svenum, Ingeborg-Helene; Strømsheim, Marie Døvre; Niemantsverdriet, Hans; Venvik, Hilde Johnsen (Journal article; Peer reviewed, 2019)Cobalt catalysts are used on a commercial scale to produce synthetic fuels via the Fischer-Tropsch synthesis process. As adsorbed hydrogen atoms are involved in many of the elementary reaction steps that occur on the ... -
Investigations of molybdenum-promoted manganese-based solid sorbents for H2S capture
Ma, Jianyu; Rout, Kumar Ranjan; Sauer, Maximilian; Mahmoodinia, Mehdi; Blekkan, Edd Anders (Peer reviewed; Journal article, 2020)The promotion effect of Mo-addition to alumina-supported Mn-based sorbents for high-temperature desulphurization was explored. A series of Mn-based sorbents with fixed Mn-loading and different Mo-loadings were prepared by ... -
Investigations of Pd3Au(100) as a catalytic model system
Hådem, Gaute Osaland (Master thesis, 2018)Catalysts are defined as materials that lowers the activation energy of a reaction, without being consumed. In heterogeneous catalysis they are commonly transitions metals which have been refined to small particles using ... -
Methodology Development for the Characterization of Carbon Formed in the Direct Process
Toutounji, Abdulrahman (Master thesis, 2019) -
On the Durability of Protective Titania Coatings on High-Voltage Spinel Cathodes
Østli, Elise Ramleth; Ebadi, Mahsa; Tesfamhret, Yonas; Mahmoodinia, Mehdi; Lacey, Matthew; Brandell, Daniel; Svensson, Ann Mari; Selbach, Sverre Magnus; Wagner, Nils Peter (Peer reviewed; Journal article, 2022)TiO2-coating of LiNi0.5-xMn1.5+xO4 (LNMO) by atomic layer deposition (ALD) has been studied as a strategy to stabilize the cathode/electrolyte interface and mitigate transition metal (TM) ion dissolution. The TiO2 coatings ... -
Preparation and characterization of pelletized Mn-based sulfur sorbents
Pascual García, Isabel (Master thesis, 2021)The global energy situation is changing slowly into new sustainable patterns of production and consumption. However, fossil fuels still lead the world energy outlook, covering more than 80% of the energy mix. Between other ... -
Regenerable Sorbents for High-Temperature Desulfurization of Syngas from Biomass Gasification
Ma, Jianyu; Mahmoodinia, Mehdi; Rout, Kumar Ranjan; Blekkan, Edd A. (Peer reviewed; Journal article, 2021)Single-metal high-temperature solid sorbents for syngas cleaning using Mn, Ca, Fe, Cu, or Mo supported on γ-Al2O3 were synthesized, characterized, and tested in a fixed-bed reactor. H2S and SO2 concentrations in the gas ... -
Segregation dynamics of a Pd-Ag surface during CO oxidation investigated by NAP-XPS
Strømsheim, Marie Døvre; Svenum, Ingeborg-Helene; Mahmoodinia, Mehdi; Boix, Virgínia; Knudsen, Jan; Venvik, Hilde Johnsen (Peer reviewed; Journal article, 2021)The dynamic changes in composition in the near-surface region of a Pd75%Ag25%(100) single crystal were monitored using near-ambient pressure x-ray photoelectron spectroscopy (NAP-XPS) during CO oxidation under oxygen rich ... -
Structural and electronic properties of the Ptn–PAH complex (n = 1, 2) from density functional calculations
Mahmoodinia, Mehdi; Ebadi, Mahsa; Åstrand, Per-Olof; Chen, De; Cheng, Hong-ye; Zhu, Yi-An (Journal article, 2014)A detailed density functional study of the Pt atom and the Pt dimer adsorption on a polyaromatic hydrocarbon (PAH) is presented. The preferred adsorption site for a Pt atom is confirmed to be the bridge site. Upon adsorption ... -
Towards rational catalyst design: boosting the rapid prediction of transition-metal activity by improved scaling relations
Wang, Yalan; Xiao, Ling; Qi, Yanying; Mahmoodinia, Mehdi; Feng, Xiang; Yang, Jia; Zhu, Yi-An; Chen, De (Peer reviewed; Journal article, 2019)Understanding the scaling relations of adsorption energies and activation energies greatly facilitates the computational catalyst design. To reduce the computational cost and guarantee efficiency, improved scaling relations ...