Achievements and challenges of graphene chemical vapor deposition growth

F Liu, P Li, H An, P Peng, B McLean… - Advanced Functional …, 2022 - Wiley Online Library
Graphene, since the first successful exfoliation of graphite, has continuously attracted
attention due to its remarkable properties and applications. Recently, the research focus on …

Chemical vapor deposition of 2D materials: A review of modeling, simulation, and machine learning studies

S Bhowmik, AG Rajan - Iscience, 2022 - cell.com
Chemical vapor deposition (CVD) is extensively used to produce large-area two-
dimensional (2D) materials. Current research is aimed at understanding mechanisms …

Selective photocatalytic oxidative coupling of methane via regulating methyl intermediates over metal/ZnO nanoparticles

P Wang, R Shi, Y Zhao, Z Li, J Zhao, J Zhao… - Angewandte …, 2023 - Wiley Online Library
Methane conversion to higher hydrocarbons requires harsh reaction conditions due to high
energy barriers associated with C− H bond activation. Herein, we report a systematic …

Toward epitaxial growth of misorientation-free graphene on Cu (111) foils

L Sun, B Chen, W Wang, Y Li, X Zeng, H Liu, Y Liang… - ACS …, 2021 - ACS Publications
The epitaxial growth of single-crystal thin films relies on the availability of a single-crystal
substrate and a strong interaction between epilayer and substrate. Previous studies have …

Accelerating metadynamics-based free-energy calculations with adaptive machine learning potentials

J Xu, XM Cao, P Hu - Journal of chemical theory and computation, 2021 - ACS Publications
There is an increasing demand for free-energy calculations using ab initio molecular
dynamics these days. Metadynamics (MetaD) is frequently utilized to reconstruct the free …

Theoretical study of chemical vapor deposition synthesis of graphene and beyond: challenges and perspectives

J Dong, L Zhang, B Wu, F Ding… - The Journal of Physical …, 2021 - ACS Publications
Two-dimensional (2D) materials have attracted great attention in recent years because of
their unique dimensionality and related properties. Chemical vapor deposition (CVD), a …

Understanding High-Temperature Chemical Reactions on Metal Surfaces: A Case Study on Equilibrium Concentration and Diffusivity of CxHy on a Cu(111) …

P Li, X Zeng, Z Li - JACS Au, 2022 - ACS Publications
Chemical reactions on metal surfaces are important in various processes such as
heterogeneous catalysis and nanostructure growth. At moderate or lower temperatures …

High‐quality graphene using Boudouard reaction

AK Grebenko, DV Krasnikov, AV Bubis… - Advanced …, 2022 - Wiley Online Library
Following the game‐changing high‐pressure CO (HiPco) process that established the first
facile route toward large‐scale production of single‐walled carbon nanotubes, CO synthesis …

Theoretical insights into the thermodynamics and kinetics of graphene growth on copper surfaces

P Li, Z Li - The Journal of Physical Chemistry C, 2020 - ACS Publications
To control graphene growth on copper surfaces, we must understand the underlying growth
mechanisms. Unfortunately, most high-resolution experimental characterization methods are …

Synthesis of two‐dimensional materials: How computational studies can help?

Y Guo, Y Hu, Q Yuan - Wiley Interdisciplinary Reviews …, 2023 - Wiley Online Library
The scalable preparation of high‐quality and low‐cost two‐dimensional (2D) materials is
critical to achieving their potential applications in various fields. Chemical vapor deposition …