Interaction of graphene with FCC–Co(111)
文献信息
J. C. W. Swart, E. van Steen, I. M. Ciobícă, R. A. van Santen
One of the possible catalyst deactivation mechanisms in the Fischer–Tropsch synthesis is carbon deposition in the form of a graphene overlayer. Currently no information is available on the nature of the interaction of these layers with the surface. The adsorption of graphene on the FCC–Co(111) surface was therefore studied. A chemical interaction between the graphene sheet and the cobalt surface was observed as evidenced by the partial DOS and Bader charge analysis. The adsorption energy was found to be small when normalized per carbon atom, but becoming large for extended graphene sheets. Graphene removal from the surface via lifting or sliding was considered. The energy barrier for sliding a graphene sheet is lower than the barrier for lifting, but the energy barriers become significant when placed into the context of realistic catalytic surfaces in the nanometer range.
期刊推荐

Journal of Organometallic Chemistry

Pharmacological Reviews

Proceedings of the National Academy of Sciences of the United States of America

Journal of Catalysis

Journal of Medicinal Chemistry

Science

Kinetics and Catalysis

Organic Preparations and Procedures International

Journal of Physics and Chemistry of Solids

Nature
相关文献
A “breathing” dendritic molecule—conformational fluctuation induced by external stimuli
Yi Zeng, Peng Li, Xinyang Liu, Tianjun Yu, Jinping Chen, Guoqiang Yang, Yi Li
DOI: 10.1039/C4PY00714J
Synthesis of poly(vinylidene fluoride-co-bromotrifluoroethylene) and effects of molecular defects on microstructure and dielectric properties
Matthew R. Gadinski, Chalatorn Chanthad, Kuo Han, Lijie Dong, Qing Wang
DOI: 10.1039/C4PY00690A
Reactive polymeric micelles with disulfide groups in the coronae
Lichao Sun, Jinchuan Liu, Hanying Zhao
DOI: 10.1039/C4PY00938J
Synthesis and multi-responsiveness of poly(N-vinylcaprolactam-co-acrylic acid) core–shell microgels via miniemulsion polymerization
Shen Tan, Zhengquan Lu, Jing Zhao, Jianan Zhang, Mingyuan Wu, Qingyun Wu, Jianjun Yang
DOI: 10.1039/C6PY00544F
Fixation of carbon dioxide concurrently or in tandem with free radical polymerization for highly transparent polyacrylates with specific UV absorption
Bin Liu, Ying-Ying Zhang, Xing-Hong Zhang, Bin-Yang Du, Zhi-Qiang Fan
DOI: 10.1039/C6PY00525J
Light-mediated curing of CO2-based unsaturated polyethercarbonates via thiol–ene click chemistry
M. A. Subhani, B. Köhler, C. Gürtler, W. Leitner
DOI: 10.1039/C6PY00458J
Polyphenylenes and the related copolymer membranes for electrochemical device applications
X. Zhang, T. Higashihara, M. Ueda, L. Wang
DOI: 10.1039/C4PY00898G
Synthesis and biomedical applications of functional poly(α-hydroxyl acid)s
Yun Yu, Jiong Zou, Chong Cheng
DOI: 10.1039/C4PY00667D
您可能还喜欢
4,5-二甲基-2-硝基苯甲酸(CAS号:4315-14-4)的市场或研究趋势如何?
4,5-二甲基-2-硝基苯甲酸主要应用于制药、染料和农药等行业。由于其潜在的毒性,其市场趋势可能受到法规限制和环保考量的影响,推动了替代产品的研发。在研究领域,...
处理直接黑22(CAS号:6473-13-8)时应注意哪些实验室安全事项?
处理直接黑22时应穿戴适当的个人防护装备(PPE),包括实验服、手套、护目镜和口罩。操作应在通风橱内进行,以避免吸入有害气体。如果发生泄漏,应立即清理,并使用大...
处理2,1,3-苯并噻二唑-4-基异氰酸酯(CAS号:342411-14-7)时应注意哪些实验室安全事项?
处理2,1,3-苯并噻二唑-4-基异氰酸酯时应注意以下安全事项:穿戴个人防护装备,如实验室外套、防护眼镜和手套;在通风橱中操作,确保良好的通风;保持实验室环境干...
如何处理含有Δ-8,9-脱氢雌酮(CAS号:204077-66-7)的废料?
含有Δ-8,9-脱氢雌酮的废料需要进行适当的处理以确保环境和人体安全。首先,收集废液并存放于密封容器中,避免泄漏。其次,可以考虑将其转化为无害物质或通过专业处理...
如何储存5-溴戊酸(CAS号:2067-33-6)?
5-溴戊酸应储存在阴凉、干燥、通风良好的环境中,避免阳光直射。建议在室温(约15-25°C)下保存,保持相对湿度低于60%。应使用密封的玻璃或塑料容器,并远离热...
4-(甲基亚磺酰基)苯胺(CAS号:22865-62-9)应用于哪些行业?
4-(甲基亚磺酰基)苯胺在医药、聚合物和传感器等领域有一定的应用。在医药方面,它可以用作合成药物的中间体;在聚合物领域,可以作为合成特殊性能高分子材料的单体;在...
什么是1-(2-FLUOROPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOHYDRAZIDE(CAS号:618092-58-3)?
1-(2-氟苯基)-5-甲基-1H-吡唑-4-亚甲基肼是一种有机化合物,其分子式为C9H9FN3O。该化合物具有特定的物理化学性质,如熔点、沸点等,但具体值需查...
Dauricumine(CAS号:345641-00-1)通常如何合成?
Dauricumine通常通过复杂的合成路线制备,涉及多个步骤,包括环化、氧化、卤化等反应。合成过程中使用了多种催化剂和试剂,例如金属催化剂、氧化剂等。产率通常...
5-氰基苯酞(CAS号:82104-74-3)安全吗?
5-氰基苯酞在正常使用条件下相对安全,但其具有一定的毒性,需谨慎操作。在实验或工业应用中,应采取适当的防护措施,如佩戴防护手套、护目镜和实验服,确保通风良好。误...
2-Methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-amine(CAS号:1186502-59-9)安全吗?
该化合物在使用时需要谨慎操作。虽然其毒性和健康风险尚未完全明确,但建议在通风良好的环境中操作,并穿戴适当的个人防护装备,如手套和防护眼镜。
来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.




![6-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine structure 6-Bromo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine structure](https://cnstatic.chemtradehub.com/structs/120/1203499-17-5-b4d1.webp)