Ismail Eren

Capturing Nuclear Quantum Effects in Hydrogen Diffusion through MoS2 via Machine-Learning-Enhanced Path-Integral Simulations

Ismail Eren, Ege Yigit Erbil, Maria-Judith Caisachana-Lozada, Hossein Mirhosseini et autres

Hydrogen transport through layered two-dimensional (2D) materials is central to technologies such as hydrogen storage, fuel cells, and isotope separation. Among these materials, MoS2 exhibits tunable interlayer diffusion properties, whose accurate theoretical description requires accounting for nuclear quantum effects (NQEs), including zero-point …

Capturing Nuclear Quantum Effects in Hydrogen Diffusion through MoS2 via Machine-Learning-Enhanced Path-Integral Simulations

Ismail Eren, Ege Yigit Erbil, Maria-Judith Caisachana-Lozada, Hossein Mirhosseini et autres

Hydrogen transport through layered two-dimensional (2D) materials is central to technologies such as hydrogen storage, fuel cells, and isotope separation. Among these materials, MoS2 exhibits tunable interlayer diffusion properties, whose accurate theoretical description requires accounting for nuclear quantum effects (NQEs), including zero-point …

Capturing Nuclear Quantum Effects in Hydrogen Diffusion inside MoS$_2$ via Machine-Learning-Enhanced Path-Integral Simulations

Ismail Eren, Agnieszka Beata Kuc, Hossein Mirhosseini

AbstractHydrogen transport through layered two-dimensional (2D) materials is central to technologies such as hydrogen storage, fuel cells, and isotope separation. Among thesematerials, MoS2 exhibits tunable interlayer diffusion properties, whose accurate theoretical description requires accounting for nuclear quantum effects (NQEs), including zero-point motion …

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Capturing Nuclear Quantum Effects in Hydrogen Diffusion inside MoS$_2$ via Machine-Learning-Enhanced Path-Integral Simulations

Ismail Eren, Agnieszka Beata Kuc, Hossein Mirhosseini

AbstractHydrogen transport through layered two-dimensional (2D) materials is central to technologies such as hydrogen storage, fuel cells, and isotope separation. Among thesematerials, MoS2 exhibits tunable interlayer diffusion properties, whose accurate theoretical description requires accounting for nuclear quantum effects (NQEs), including zero-point motion …

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Graphene Structure Modification under Tritium Exposure: 3 H Chemisorption Dominates over Defect Formation by β – Radiation

Alexandra Becker, G. Zeller, Holger Lippold, Ismail Eren et autres

High Resolution Image Download MS PowerPoint Slide Potential structural modifications of graphene exposed to gaseous tritium are important for membrane-based hydrogen isotope separation. Previously, it has been reported that tritium–graphene interactions cause absorption as well as vacancy defects in graphene. In this …

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Sulfophenylated centimeter-sized graphene membrane in a direct methanol fuel cell

Weizhe Zhang, Max Makurat, Xue Liu, Buhang Chen et autres

An ideal proton exchange membrane should only allow protons to pass and remain impermeable to fuels, as required in fuel cell applications. In methanol fuel cells, high proton conductivity enables high power density, whereas methanol crossover between the electrodes degrades the catalyst …

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Graphene structure modification under tritium exposure: 3H chemisorption dominates over defect formation by \b{eta}-radiation

Alexandra Becker, G. Zeller, Holger Lippold, Ismail Eren et autres

Potential structural modifications of graphene exposed to gaseous tritium are important for membrane-based hydrogen isotope separation. Such modifications cannot be explained by electron irradiation alone. Instead, tritiation, caused by the tritium radicals remaining after the decay, is the primary effect causing the …

Sulfophenylated centimeter-size graphene membrane in a direct methanol fuel cell

Grégory F. Schneider, Weizhe Zhang, Max Makurat, Xue Liu et autres

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Hydrogen Transport Between Layers of Transition Metal‐Dichalcogenides

Ismail Eren, Yun An, Agnieszka Beata Kuc

Abstract Hydrogen is a crucial source of green energy and is extensively studied for its potential usage in fuel cells. The advent of 2D crystals (2DCs) has taken hydrogen research to new heights, enabling it to tunnel through layers of 2DCs or …

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Giant proton transmembrane transport through sulfophenylated graphene in a direct methanol fuel cell

Weizhe Zhang, Max Makurat, Xue Liu, Xiaofang Kang et autres

An ideal proton exchange membrane should only permeate protons and be leak tight for fuels. Graphene is impermeable to water and poorly conducting to protons. Here, we chemically functionalized monolayer graphene to install sulfophenylated sp3 dislocations by diazotization. Selective to protons, transmembrane …

Hydrogen Transport Between Layers of Transition Metal-Dichalcogenides

Ismail Eren, Yun An, Agnieszka Beata Kuc

Abstract Hydrogen is a crucial source of green energy and has been extensively studied for its potential usage in fuel cells. The advent of two-dimensional crystals (2DCs) has taken hydrogen research to new heights, enabling it to tunnel through layers of 2DCs …

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Atomic collapse in graphene quantum dots in a magnetic field

Ismail Eren, Alev Devrim Güçlü

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