E-LIB Suche - Ergebnisse für: van Duin, Adri C. T.

1

Mapping TpPa-1 covalent organic framework (COF) molecular i..:

Barnes, Anastasia M. ; Afroz, Mohammad M. ; Shin, Yun Kyung..
Journal of Membrane Science. 698 (2024) - p. 122613 , 2024

Link: https://doi.org/10.1016/..

2

Reactive Force Field Molecular Dynamics Studies of the Init..:

Uene, Naoya ; Mabuchi, Takuya ; Zaitsu, Masaru...
The Journal of Physical Chemistry C. 128 (2024) 3 - p. 1075-1086 , 2024

Link: https://doi.org/10.1021/..

3

Watching (De)Intercalation of 2D Metals in Epitaxial Graphe..:

Niefind, Falk ; Mao, Qian ; Nayir, Nadire...
Small. 20 (2024) 11 - p. , 2024

Link: https://doi.org/10.1002/..

4

Upcycling Plastic Waste into Graphite Using Graphenic Addit..:

Gharpure, Akshay ; Kowalik, Malgorzata ; Vander Wal, Randy L..
ACS Sustainable Chemistry & Engineering. 12 (2024) 11 - p. 4565-4575 , 2024

Link: https://doi.org/10.1021/..

5

Nanomaterials Research at a Primarily Undergraduate Institu..:

Plass, Katherine E. ; Krebs, J. Kenneth ; Morford, Jennifer L....
ACS Nanoscience Au. , 2024

Link: https://doi.org/10.1021/..

6

eReaxFF force field development for BaZr0.8Y0.2O3-δ solid o..:

Hossain, Md Jamil ; Gaikwad, Prashik ; Shin, Yun Kyung...
npj Computational Materials. 10 (2024) 1 - p. , 2024

Link: https://doi.org/10.1038/..

7

Development and validation of a general-purpose ReaxFF reac..:

Zhang, Yingchun ; Liu, Xiandong ; van Duin, Adri C. T...
The Journal of Chemical Physics. 160 (2024) 9 - p. , 2024

Link: https://doi.org/10.1063/..

8

A reactive force field approach to modeling corrosion of Ni..:

Arkoub, Hamdy ; Dwivedi, Swarit ; van Duin, Adri C.T..
Applied Surface Science. 655 (2024) - p. 159627 , 2024

Link: https://doi.org/10.1016/..

9

Exploring Gas-Phase Chemical Reactions in NH3/B2H6 Systems ..:

Jeong, Ga-Un ; van Duin, Adri C. T. ; Xuan, Yuan
The Journal of Physical Chemistry A. 128 (2024) 13 - p. 2584-2593 , 2024

Link: https://doi.org/10.1021/..

10

Advances in developing cost-effective carbon fibers by coup..:

Zhu, Jiadeng ; Gao, Zan ; Mao, Qian...
Progress in Materials Science. 146 (2024) - p. 101329 , 2024

Link: https://doi.org/10.1016/..

11

Computationally guided synthesis of carbon coated mesoporou..:

Dasgupta, Nabankur ; Mao, Qian ; van Duin, Adri C.T.
Carbon. 221 (2024) - p. 118891 , 2024

Link: https://doi.org/10.1016/..

12

Mixing I and Br in Inorganic Perovskites: Atomistic Insight..:

Pols, Mike ; van Duin, Adri C. T. ; Calero, Sofía.
The Journal of Physical Chemistry C. 128 (2024) 9 - p. 4111-4118 , 2024

Link: https://doi.org/10.1021/..

13

Development of the ReaxFF Reactive Force Field for Li/Mn/O ..:

Talkhoncheh, Mahdi Khajeh ; Ghods, Hamed ; Doosthosseini, Mahsa...
The Journal of Physical Chemistry C. 128 (2024) 16 - p. 6538-6550 , 2024

Link: https://doi.org/10.1021/..

14

Direct Fabrication of Atomically Defined Pores in MXenes Us..:

Boebinger, Matthew G. ; Yilmaz, Dundar E. ; Ghosh, Ayana...
Small Methods. , 2024

Link: https://doi.org/10.1002/..

15

Prediction of a Novel Electromechanical Response in Polar P..:

Wang, Tao ; Gao, Yawei ; Chen, Bo..
Nano Letters. , 2024

Link: https://doi.org/10.1021/..