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Keyword: density functional theory (DFT)
Research Article
Microscopic insight into the single step growth of in-plane heterostructures between graphene and hexagonal boron nitride
Thanh Hai Nguyen, Daniele Perilli, Mattia Cattelan, [...], Hongsheng Liu, Francesco Sedona, Neil A. Fox, Cristiana Di Valentin, Stefano Agnoli << Fewer
Published: 09 January 2019
2019, 12 (3): 675-982
Research Article
Nitrogen-rich carbon spheres made by a continuous spraying process for high-performance supercapacitors
Fei Sun, Haobin Wu, Xin Liu, [...], Fang Liu, Huihui Zhou, Jihui Gao, Yunfeng Lu << Fewer
Published: 01 August 2016
2016, 9 (11): 3209-3221
Research Article
Anisotropic iron-doping patterns in two-dimensional cobalt oxide nanoislands on Au(111)
Anthony Curto, Zhaozong Sun, Jonathan Rodríguez-Fernández, [...], Liang Zhang, Ayush Parikh, Ting Tan, Jeppe V. Lauritsen, Aleksandra Vojvodic << Fewer
Published: 01 August 2019
2019, 12 (9): 2364-2372
Research Article
A density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain
Min Kan, Bo Wang, Young Hee Lee, Qiang Sun
Published: 01 December 2014
2015, 8 (4): 1348-1356
Research Article
Layer-dependent signatures for exciton dynamics in monolayer and multilayer WSe2 revealed by fluorescence lifetime imaging measurement
Yuanshuang Liu, Huanglong Li, Cuicui Qiu, [...], Xiangmin Hu, Dameng Liu << Fewer
Published: 12 February 2020
2020, 13 (3): 661-666
Research Article | Open Access
CO Dissociation and CO+O Reactions on a Nanosized Iron Cluster
Giorgio Lanzani, Albert G. Nasibulin, Kari Laasonen, Esko I. Kauppinen
Published: 01 August 2009
2009, 2 (8): 660-670
Research Article
Nitrogen reduction reaction on small iron clusters supported by N-doped graphene: A theoretical study of the atomically precise active-site mechanism
Chaonan Cui, Hongchao Zhang, Zhixun Luo
Published: 05 August 2020
2020, 13 (8): 2280-2288
Research Article
Tuning the dual-active sites of ZIF-67 derived porous nanomaterials for boosting oxygen catalysis and rechargeable Zn-air batteries
Zeyi Zhang, Yangyang Tan, Tang Zeng, [...], Liyue Yu, Runzhe Chen, Niancai Cheng, Shichun Mu, Xueliang Sun << Fewer
Published: 05 July 2021
2021, 14 (7): 2353-2362
Research Article
Template-directed assembly of pentacene molecules on epitaxial graphene on Ru(0001)
Haitao Zhou, Lizhi Zhang, Jinhai Mao, [...], Geng Li, Yi Zhang, Yeliang Wang, Shixuan Du, Werner A. Hofer, Hong-Jun Gao << Fewer
Published: 11 January 2013
2013, 6 (2): 131-137
Research Article
Real-time decay of fluorinated fullerene molecules on Cu(001) surface controlled by initial coverage
Andrey I. Oreshkin, Dmitry A. Muzychenko, Sergey I. Oreshkin, [...], Vladimir A. Yakovlev, Palanichamy Murugan, S. Selva Chandrasekaran, Vijay Kumar, Rauf Z. Bakhtizin << Fewer
Published: 19 March 2018
2018, 11 (4): 2069-2082
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