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Nadire Nayir

Recent Advances in 2D Material Theory, Synthesis, Properties, and Applications
2023 · Yu-Chuan Lin, Riccardo Torsi, et al. · ACS Nano · 364
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Atomically thin half-van der Waals metals enabled by confinement heteroepitaxy
2020 · Natalie Briggs, Brian Bersch, et al. · Nature Materials · 207
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Step engineering for nucleation and domain orientation control in WSe2 epitaxy on c-plane sapphire
2023 · Haoyue Zhu, Nadire Nayir, et al. · Nature Nanotechnology · 152
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Multi-scale modeling of gas-phase reactions in metal-organic chemical vapor deposition growth of WSe2
2019 · Yuan Xuan, Abhishek Jain, et al. · Journal of Crystal Growth · 93
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Illuminating Invisible Grain Boundaries in Coalesced Single-Orientation WS 2 Monolayer Films
2021 · Danielle Reifsnyder Hickey, Nadire Nayir, et al. · Nano Letters · 51
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Synthesis, Characterization, and Theoretical Modeling of 2D Molybdenum Boride (MBene) for All Solid-State Flexible Interdigitated Supercapacitor Application
2025 · Parya Aghamohammadi, Fatma Karakaya Mert, et al. · ACS Omega · 45
A computational framework for guiding the MOCVD-growth of wafer-scale 2D materials
2022 · Kasra Momeni, Yanzhou Ji, et al. · npj Computational Materials · 45
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Modeling and simulations for 2D materials: a ReaxFF perspective
2023 · Nadire Nayir, Qian Mao, et al. · 2D Materials · 44
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INDEEDopt: a deep learning-based ReaxFF parameterization framework
2021 · Mert Y. Sengul, Yao Song, et al. · npj Computational Materials · 43
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Development of the ReaxFF Reactive Force Field for Inherent Point Defects in the Si/Silica System
2019 · Nadire Nayir, Adri C. T. van Duin, et al. · The Journal of Physical Chemistry A · 41
Modeling for Structural Engineering and Synthesis of Two-Dimensional WSe2 Using a Newly Developed ReaxFF Reactive Force Field
2020 · Nadire Nayir, Yuanxi Wang, et al. · The Journal of Physical Chemistry C · 37
Oxidation and hydrogenation of monolayer MoS2 with compositing agent under environmental exposure: The ReaxFF Mo/Ti/Au/O/S/H force field development and applications
2022 · Qian Mao, Yuwei Zhang, et al. · Frontiers in Nanotechnology · 29
Development of a ReaxFF Reactive Force Field for Interstitial Oxygen in Germanium and Its Application to GeO2/Ge Interfaces
2018 · Nadire Nayir, Adri C. T. van Duin, et al. · The Journal of Physical Chemistry C · 28
Development and Applications of ReaxFF Reactive Force Fields for Group-III Gas-Phase Precursors and Surface Reactions with Graphene in Metal–Organic Chemical Vapor Deposition Synthesis
2021 · Siavash Rajabpour, Qian Mao, et al. · The Journal of Physical Chemistry C · 23
Self-limiting stoichiometry in SnSe thin films
2023 · Jonathan R. Chin, Marshall B. Frye, et al. · Nanoscale · 22
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A ReaxFF Force Field for 2D-WS 2 and Its Interaction with Sapphire
2021 · Nadire Nayir, Yun Kyung Shin, et al. · The Journal of Physical Chemistry C · 20
Role of tilt grain boundaries on the structural integrity of WSe 2 monolayers
2022 · Nuruzzaman Sakib, Shiddartha Paul, et al. · Physical Chemistry Chemical Physics · 17
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Theoretical modeling of edge-controlled growth kinetics and structural engineering of 2D-MoSe2
2021 · Nadire Nayir, Yuanxi Wang, et al. · Materials Science and Engineering B · 16
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Atomic-Scale Probing of Defect-Assisted Ga Intercalation Through Graphene Using ReaxFF Molecular Dynamics Simulations
2021 · Nadire Nayir, Mert Y. Sengul, et al. · SSRN Electronic Journal · 15
Watching (De)Intercalation of 2D Metals in Epitaxial Graphene: Insight into the Role of Defects
2023 · Falk Niefind, Qian Mao, et al. · Small · 12
Role of Bilayer Graphene Microstructure on the Nucleation of WSe 2 Overlayers
2023 · Saiphaneendra Bachu, Malgorzata Kowalik, et al. · ACS Nano · 11
Toward a Mechanistic Understanding of the Formation of 2D-GaNx in Epitaxial Graphene
2022 · Anushka Bansal, Nadire Nayir, et al. · ACS Nano · 11
Density functional study of Ga intercalation at graphene/SiC heterointerface
2022 · Nadire Nayir · Journal of materials research/Pratt's guide to venture capital sources · 7
Atomic Level Insight into the Nucleation of SnSe Thin Films Using Graphene Mask in Molecular Beam Epitaxy: ReaxFF Molecular Dynamics Simulations
2024 · Benazir Fazlioglu-Yalcin, Mengyi Wang, et al. · The Journal of Physical Chemistry C · 6
Understanding physical chemistry of Ba x Sr 1− x TiO 3 using ReaxFF molecular dynamics simulations
2021 · Dooman Akbarian, Nadire Nayir, et al. · Physical Chemistry Chemical Physics · 6
Works count: 56
Citation count: 1,385
H-index: 17
I10-index: 22
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