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Role Of Strain On Electronic And Mechanical Response Of Semiconducting Transition-Metal Dichalcogenide Monolayers: An Ab-Initio Study, David M. Guzman, Alejandro Strachan Jun 2014

Role Of Strain On Electronic And Mechanical Response Of Semiconducting Transition-Metal Dichalcogenide Monolayers: An Ab-Initio Study, David M. Guzman, Alejandro Strachan

Birck and NCN Publications

We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX2 (M = Mo, W, Sn, Hf and X = S, Se, Te) based on 2H and 1T structures using fully relativistic first principles calculations based on density functional theory. We focus on the role of strain on the band structure and band alignment across the series of materials. We find that strain has a significant effect on the band gap; a biaxial strain of 1% decreases the band gap in the 2H structures, by as a much as 0.2 eV in MoS2 and WS2, while increasing it for …


Use Of Graphene As Protection Film In Biological Environments, Weixia Zhang, Sudarat Lee, Kelly L. Mcnear, Ting Fung Chung, Seunghyun Lee, Kyunghoon Lee, Scott A. Crist, Timothy L. Ratliff, Zhaohui Zhong, Yong P. Chen, Chen Yang Feb 2014

Use Of Graphene As Protection Film In Biological Environments, Weixia Zhang, Sudarat Lee, Kelly L. Mcnear, Ting Fung Chung, Seunghyun Lee, Kyunghoon Lee, Scott A. Crist, Timothy L. Ratliff, Zhaohui Zhong, Yong P. Chen, Chen Yang

Birck and NCN Publications

Corrosion of metal in biomedical devices could cause serious health problems to patients. Currently ceramics coating materials used in metal implants can reduce corrosion to some extent with limitations. Here we proposed graphene as a biocompatible protective film for metal potentially for biomedical application. We confirmed graphene effectively inhibits Cu surface from corrosion in different biological aqueous environments. Results from cell viability tests suggested that graphene greatly eliminates the toxicity of Cu by inhibiting corrosion and reducing the concentration of Cu2+ ions produced. We demonstrated that additional thiol derivatives assembled on graphene coated Cu surface can prominently enhance durability of …