Adri C. T. Van Duin - Search Results

Year	Number of Results
2002	2
2003	1
2005	8
2006	2
2007	2
2008	8
2009	8
2010	12
2011	13
2012	13
2013	17
2014	15
2015	9
2016	10
2017	15
2018	19
2019	14
2020	13
2021	18
2022	18
2023	14
2024	4

1

Exploring Gas-Phase Chemical Reactions in NH₃/B₂H₆ Systems for Chemical Vapor Deposition Using Reactive Molecular Dynamics.

Jeong GU, van Duin ACT, Xuan Y. Jeong GU, et al. Among authors: van duin act. J Phys Chem A. 2024 Apr 4;128(13):2584-2593. doi: 10.1021/acs.jpca.3c08051. Epub 2024 Mar 26. J Phys Chem A. 2024. PMID: 38529819

2

Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations.

Pols M, van Duin ACT, Calero S, Tao S. Pols M, et al. Among authors: van duin act. J Phys Chem C Nanomater Interfaces. 2024 Feb 23;128(9):4111-4118. doi: 10.1021/acs.jpcc.4c00563. eCollection 2024 Mar 7. J Phys Chem C Nanomater Interfaces. 2024. PMID: 38476824 Free PMC article.

3

Development and validation of a general-purpose ReaxFF reactive force field for earth material modeling.

Zhang Y, Liu X, van Duin ACT, Lu X, Meijer EJ. Zhang Y, et al. Among authors: van duin act. J Chem Phys. 2024 Mar 7;160(9):094103. doi: 10.1063/5.0194486. J Chem Phys. 2024. PMID: 38426512

4

Effect of Fe-O ReaxFF on Liquid Iron Oxide Properties Derived from Reactive Molecular Dynamics.

Thijs LC, Kritikos EM, Giusti A, van Ende MA, van Duin ACT, Mi X. Thijs LC, et al. Among authors: van duin act. J Phys Chem A. 2023 Dec 7;127(48):10339-10355. doi: 10.1021/acs.jpca.3c06646. Epub 2023 Nov 20. J Phys Chem A. 2023. PMID: 37984360 Free PMC article.

5

Watching (De)Intercalation of 2D Metals in Epitaxial Graphene: Insight into the Role of Defects.

Niefind F, Mao Q, Nayir N, Kowalik M, Ahn JJ, Winchester AJ, Dong C, Maniyara RA, Robinson JA, van Duin ACT, Pookpanratana S. Niefind F, et al. Among authors: van duin act. Small. 2024 Mar;20(11):e2306554. doi: 10.1002/smll.202306554. Epub 2023 Nov 2. Small. 2024. PMID: 37919862

6

Correction: Self-limiting stoichiometry in SnSe thin films.

Chin JR, Frye MB, Liu DS, Hilse M, Graham IC, Shallenberger J, Wang K, Engel-Herbert R, Wang M, Shin YK, Nayir N, van Duin ACT, Garten LM. Chin JR, et al. Among authors: van duin act. Nanoscale. 2023 Nov 2;15(42):17216. doi: 10.1039/d3nr90187d. Nanoscale. 2023. PMID: 37877894

7

Step engineering for nucleation and domain orientation control in WSe₂ epitaxy on c-plane sapphire.

Zhu H, Nayir N, Choudhury TH, Bansal A, Huet B, Zhang K, Puretzky AA, Bachu S, York K, Mc Knight TV, Trainor N, Oberoi A, Wang K, Das S, Makin RA, Durbin SM, Huang S, Alem N, Crespi VH, van Duin ACT, Redwing JM. Zhu H, et al. Among authors: van duin act. Nat Nanotechnol. 2023 Nov;18(11):1295-1302. doi: 10.1038/s41565-023-01456-6. Epub 2023 Jul 27. Nat Nanotechnol. 2023. PMID: 37500779

8

Aqueous Stability of Metal-Organic Frameworks Using ReaxFF-Based Metadynamics Simulations.

Yang Y, Shin YK, Ooe H, Yin X, Zhang X, van Duin ACT, Murase Y, Mauro JC. Yang Y, et al. Among authors: van duin act. J Phys Chem B. 2023 Jul 20;127(28):6374-6384. doi: 10.1021/acs.jpcb.3c00563. Epub 2023 Jul 7. J Phys Chem B. 2023. PMID: 37418387

9

Joint Theoretical and Experimental Study of Stress Graphitization in Aligned Carbon Nanotube/Carbon Matrix Composites.

Zhang L, Kowalik M, Mao Q, Damirchi B, Zhang Y, Bradford PD, Li Q, van Duin ACT, Zhu YT. Zhang L, et al. Among authors: van duin act. ACS Appl Mater Interfaces. 2023 Jul 12;15(27):32656-32666. doi: 10.1021/acsami.3c03209. Epub 2023 Jun 29. ACS Appl Mater Interfaces. 2023. PMID: 37384459

10

Role of Bilayer Graphene Microstructure on the Nucleation of WSe₂ Overlayers.

Bachu S, Kowalik M, Huet B, Nayir N, Dwivedi S, Hickey DR, Qian C, Snyder DW, Rotkin SV, Redwing JM, van Duin ACT, Alem N. Bachu S, et al. Among authors: van duin act. ACS Nano. 2023 Jul 11;17(13):12140-12150. doi: 10.1021/acsnano.2c12621. Epub 2023 Jun 27. ACS Nano. 2023. PMID: 37368885

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