Zobrazeno 1 - 10
of 46
pro vyhledávání: '"Nadire, Nayir"'
Autor:
Kasra Momeni, Yanzhou Ji, Nadire Nayir, Nurruzaman Sakib, Haoyue Zhu, Shiddartha Paul, Tanushree H. Choudhury, Sara Neshani, Adri C. T. van Duin, Joan M. Redwing, Long-Qing Chen
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-8 (2022)
Abstract Reproducible wafer-scale growth of two-dimensional (2D) materials using the Chemical Vapor Deposition (CVD) process with precise control over their properties is challenging due to a lack of understanding of the growth mechanisms spanning ov
Externí odkaz:
https://doaj.org/article/f6dcd93dae3a4e8dabc295d14b7ebbe2
Autor:
Qian Mao, Yuwei Zhang, Malgorzata Kowalik, Nadire Nayir, Michael Chandross, Adri C. T. van Duin
Publikováno v:
Frontiers in Nanotechnology, Vol 4 (2022)
An atomistic modeling tool is essential to an in-depth understanding upon surface reactions of transition metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS2), with the presence of compositing agents, including Ti and Au, under different
Externí odkaz:
https://doaj.org/article/64cf35c15e9040da835f566bb1391821
Autor:
Mert Y. Sengul, Yao Song, Nadire Nayir, Yawei Gao, Ying Hung, Tirthankar Dasgupta, Adri C. T. van Duin
Publikováno v:
npj Computational Materials, Vol 7, Iss 1, Pp 1-9 (2021)
Abstract Empirical interatomic potentials require optimization of force field parameters to tune interatomic interactions to mimic ones obtained by quantum chemistry-based methods. The optimization of the parameters is complex and requires the develo
Externí odkaz:
https://doaj.org/article/e38e18c02dd2449aa860d83c0501a7d3
Autor:
Kasra Momeni, Yanzhou Ji, Nadire Nayir, Nuruzzaman Sakib, Haoyue Zhu, Shiddartha Paul, Tanushree H. Choudhury, Sara Neshani, Adri C. T. van Duin, Joan M. Redwing, Long-Qing Chen
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-1 (2022)
Externí odkaz:
https://doaj.org/article/2b4d41fbc42240f7a37888fbe84cf05b
Autor:
Nadire Nayir, Stephen Bartolucci, Tao Wang, Chen Chen, Joshua Maurer, Joan M. Redwing, Adri C. T. van Duin
Publikováno v:
The Journal of Physical Chemistry C. 127:9039-9048
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::16f91c4f7e582b3ddaf72768171f4a27
https://doi.org/10.1021/acs.jpcc.3c01010
https://doi.org/10.1021/acs.jpcc.3c01010
Autor:
Anushka Bansal, Nadire Nayir, Ke Wang, Patrick Rondomanski, Shruti Subramanian, Shalini Kumari, Joshua A. Robinson, Adri C. T. van Duin, Joan M. Redwing
Publikováno v:
ACS Nano. 17:230-239
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2cf522b2dbad4bbf3a10f0fa72bbbce6
https://doi.org/10.1021/acsnano.2c07091
https://doi.org/10.1021/acsnano.2c07091
Publikováno v:
The Journal of Physical Chemistry C. 126:16357-16368
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9cbbc29fc039ce1b80ba379f774edc67
https://doi.org/10.1021/acs.jpcc.2c04117
https://doi.org/10.1021/acs.jpcc.2c04117
Autor:
Nadire Nayir, Qian Mao, Tao Wang, Malgorzata Kowalik, Yuwei Zhang, Mengyi Wang, Swarit Dwivedi, Ga-Un Jeong, Yun Kyung Shin, Adri C T van Duin
Publikováno v:
2D Materials.
Recent advancements in the field of two-dimensional (2D) materials have led to the discovery of a wide range of 2D materials with intriguing properties. Atomistic-scale simulation methods have played a key role in these discoveries. In this review, w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a80b334013f8e4a37d5322d0bf658c66
https://doi.org/10.1088/2053-1583/acd7fd
https://doi.org/10.1088/2053-1583/acd7fd
Autor:
Yu-Chuan Lin, Riccardo Torsi, Rehan Younas, Christopher L. Hinkle, Albert F. Rigosi, Heather M. Hill, Kunyan Zhang, Shengxi Huang, Christopher E. Shuck, Chen Chen, Yu-Hsiu Lin, Daniel Maldonado-Lopez, Jose L. Mendoza-Cortes, John Ferrier, Swastik Kar, Nadire Nayir, Siavash Rajabpour, Adri C. T. van Duin, Xiwen Liu, Deep Jariwala, Jie Jiang, Jian Shi, Wouter Mortelmans, Rafael Jaramillo, Joao Marcelo J. Lopes, Roman Engel-Herbert, Anthony Trofe, Tetyana Ignatova, Seng Huat Lee, Zhiqiang Mao, Leticia Damian, Yuanxi Wang, Megan A. Steves, Kenneth L. Knappenberger, Zhengtianye Wang, Stephanie Law, George Bepete, Da Zhou, Jiang-Xiazi Lin, Mathias S. Scheurer, Jia Li, Pengjie Wang, Guo Yu, Sanfeng Wu, Deji Akinwande, Joan M. Redwing, Mauricio Terrones, Joshua A. Robinson
Publikováno v:
ACS Nano
Two-dimensional (2D) material research is rapidly evolving to broaden the spectrum of emergent 2D systems. Here, we review recent advances in the theory, synthesis, characterization, device, and quantum physics of 2D materials and their heterostructu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b4971b4b448a6d38c02e154e2cb7b25
https://doi.org/10.1021/acsnano.2c12759
https://doi.org/10.1021/acsnano.2c12759
Autor:
Nuruzzaman Sakib, Shiddartha Paul, Nadire Nayir, Adri C. T. van Duin, Sara Neshani, Kasra Momeni
Publikováno v:
Physical Chemistry Chemical Physics. 24:27241-27249
Grain boundaries in transition metal dichalcogenides have a profound effect on their characteristics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2821c18221cc58e5598f28180bc5f618
https://doi.org/10.1039/d2cp03492a
https://doi.org/10.1039/d2cp03492a