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• W4376138526 endingPage "8563" @default.
• W4376138526 startingPage "8563" @default.
• W4376138526 abstract "Due to its outstanding properties, graphene has emerged as one of the most promising 2D materials in a large variety of research fields. Among the available fabrication protocols, chemical vapor deposition (CVD) enables the production of high quality single-layered large area graphene. To better understand the kinetics of CVD graphene growth, multiscale modeling approaches are sought after. Although a variety of models have been developed to study the growth mechanism, prior studies are either limited to very small systems, are forced to simplify the model to eliminate the fast process, or they simplify reactions. While it is possible to rationalize these approximations, it is important to note that they have non-trivial consequences on the overall growth of graphene. Therefore, a comprehensive understanding of the kinetics of graphene growth in CVD remains a challenge. Here, we introduce a kinetic Monte Carlo protocol that permits, for the first time, the representation of relevant reactions on the atomic scale, without additional approximations, while still reaching very long time and length scales of the simulation of graphene growth. The quantum-mechanics-based multiscale model, which links kinetic Monte Carlo growth processes with the rates of occurring chemical reactions, calculated from first principles makes it possible to investigate the contributions of the most important species in graphene growth. It permits the proper investigation of the role of carbon and its dimer in the growth process, thus indicating the carbon dimer to be the dominant species. The consideration of hydrogenation and dehydrogenation reactions enables us to correlate the quality of the material grown within the CVD control parameters and to demonstrate an important role of these reactions in the quality of the grown graphene in terms of its surface roughness, hydrogenation sites, and vacancy defects. The model developed is capable of providing additional insights to control the graphene growth mechanism on Cu(111), which may guide further experimental and theoretical developments." @default.
• W4376138526 created "2023-05-12" @default.
• W4376138526 creator A5001805046 @default.
• W4376138526 creator A5040901701 @default.
• W4376138526 creator A5048531353 @default.
• W4376138526 creator A5068608656 @default.
• W4376138526 creator A5069675295 @default.
• W4376138526 creator A5090485018 @default.
• W4376138526 date "2023-05-10" @default.
• W4376138526 modified "2023-10-01" @default.
• W4376138526 title "Multiscale Model of CVD Growth of Graphene on Cu(111) Surface" @default.
• W4376138526 cites W1524140718 @default.
• W4376138526 cites W1802692242 @default.
• W4376138526 cites W1807629168 @default.
• W4376138526 cites W1901415922 @default.
• W4376138526 cites W1962384656 @default.
• W4376138526 cites W1965572595 @default.
• W4376138526 cites W1970127494 @default.
• W4376138526 cites W1978607450 @default.
• W4376138526 cites W1981368803 @default.
• W4376138526 cites W1984071764 @default.
• W4376138526 cites W1989037178 @default.
• W4376138526 cites W1991605413 @default.
• W4376138526 cites W1991859775 @default.
• W4376138526 cites W1997380863 @default.
• W4376138526 cites W2000477984 @default.
• W4376138526 cites W2005625660 @default.
• W4376138526 cites W2007395042 @default.
• W4376138526 cites W2007740449 @default.
• W4376138526 cites W2008555135 @default.
• W4376138526 cites W2010971702 @default.
• W4376138526 cites W2014694192 @default.
• W4376138526 cites W2016464593 @default.
• W4376138526 cites W2018245084 @default.
• W4376138526 cites W2019541233 @default.
• W4376138526 cites W2026361995 @default.
• W4376138526 cites W2028352473 @default.
• W4376138526 cites W2030709758 @default.
• W4376138526 cites W2032559315 @default.
• W4376138526 cites W2048102858 @default.
• W4376138526 cites W2049079467 @default.
• W4376138526 cites W2052738607 @default.
• W4376138526 cites W2058122340 @default.
• W4376138526 cites W2061366494 @default.
• W4376138526 cites W2064286028 @default.
• W4376138526 cites W2079128972 @default.
• W4376138526 cites W2083222334 @default.
• W4376138526 cites W2092157292 @default.
• W4376138526 cites W2095921114 @default.
• W4376138526 cites W2099779584 @default.
• W4376138526 cites W2101977779 @default.
• W4376138526 cites W2110073858 @default.
• W4376138526 cites W2112835738 @default.
• W4376138526 cites W2123510746 @default.
• W4376138526 cites W2134924101 @default.
• W4376138526 cites W2140256023 @default.
• W4376138526 cites W2146564548 @default.
• W4376138526 cites W2147998764 @default.
• W4376138526 cites W2149101978 @default.
• W4376138526 cites W2154054997 @default.
• W4376138526 cites W2159742564 @default.
• W4376138526 cites W2162248106 @default.
• W4376138526 cites W2165190656 @default.
• W4376138526 cites W2169884320 @default.
• W4376138526 cites W2225701763 @default.
• W4376138526 cites W2267081055 @default.
• W4376138526 cites W2319429864 @default.
• W4376138526 cites W2326845636 @default.
• W4376138526 cites W2328928309 @default.
• W4376138526 cites W2412461017 @default.
• W4376138526 cites W2487685040 @default.
• W4376138526 cites W2573072167 @default.
• W4376138526 cites W2619609791 @default.
• W4376138526 cites W2743378700 @default.
• W4376138526 cites W2767620937 @default.
• W4376138526 cites W2767718925 @default.
• W4376138526 cites W2783572650 @default.
• W4376138526 cites W2784373214 @default.
• W4376138526 cites W2790274729 @default.
• W4376138526 cites W2884451287 @default.
• W4376138526 cites W2896900761 @default.
• W4376138526 cites W2902959207 @default.
• W4376138526 cites W2914992436 @default.
• W4376138526 cites W2967185508 @default.
• W4376138526 cites W2978096418 @default.
• W4376138526 cites W2981311343 @default.
• W4376138526 cites W2984796255 @default.
• W4376138526 cites W2990403546 @default.
• W4376138526 cites W2996692229 @default.
• W4376138526 cites W3080828329 @default.
• W4376138526 cites W3081419298 @default.
• W4376138526 cites W3088729016 @default.
• W4376138526 cites W3091418324 @default.
• W4376138526 cites W3099854949 @default.
• W4376138526 cites W3100886614 @default.
• W4376138526 cites W3123446993 @default.
• W4376138526 cites W3128629069 @default.
• W4376138526 cites W3137526233 @default.

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