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Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF molecular dynamics simulations

https://doi.org/10.1016/j.carbon.2022.01.005

Nayir, Nadire ; Sengul, Mert Y. ; Costine, Anna L. ; Reinke, Petra ; Rajabpour, Siavash ; Bansal, Anushka ; Kozhakhmetov, Azimkhan ; Robinson, Joshua ; Redwing, Joan M. ; van Duin, Adri ( April 2022 , Carbon)

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Atomic-Level Structure Determines Electron–Phonon Scattering Rates in 2-D Polar Metal Heterostructures

https://doi.org/10.1021/acsnano.1c05944

Steves, Megan A. ; Rajabpour, Siavash ; Wang, Ke ; Dong, Chengye ; He, Wen ; Quek, Su Ying ; Robinson, Joshua A. ; Knappenberger, Kenneth L. ( November 2021 , ACS Nano)

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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

https://doi.org/10.1021/acs.jpcc.1c01965

Rajabpour, Siavash ; Mao, Qian ; Nayir, Nadire ; Robinson, Joshua A. ; van Duin, Adri C. ( May 2021 , The Journal of Physical Chemistry C)
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Recent Advances in 2D Material Theory, Synthesis, Properties, and Applications

https://doi.org/10.1021/acsnano.2c12759

Lin, Yu-Chuan ; Torsi, Riccardo ; Younas, Rehan ; Hinkle, Christopher L. ; Rigosi, Albert F. ; Hill, Heather M. ; Zhang, Kunyan ; Huang, Shengxi ; Shuck, Christopher E. ; Chen, Chen ; et al ( June 2023 , ACS Nano)

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Tunable 2D Group‐III Metal Alloys

https://doi.org/10.1002/adma.202104265

Rajabpour, Siavash ; Vera, Alexander ; He, Wen ; Katz, Benjamin N. ; Koch, Roland J. ; Lassaunière, Margaux ; Chen, Xuegang ; Li, Cequn ; Nisi, Katharina ; El‐Sherif, Hesham ; et al ( November 2021 , Advanced Materials)

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Elucidating the Mechanism of Large Phosphate Molecule Intercalation Through Graphene-Substrate Heterointerfaces

https://doi.org/10.1021/acsami.3c07763

Liang, Jiayun ; Ma, Ke ; Zhao, Xiao ; Lu, Guanyu ; Riffle, Jake ; Andrei, Carmen M. ; Dong, Chengye ; Furkan, Turker ; Rajabpour, Siavash ; Prabhakar, Rajiv Ramanujam ; et al ( October 2023 , ACS Applied Materials & Interfaces)