분야별 논문보기
APP별 논문보기
- 2d_comp_p
- 2d_continuum_analysis
- 2d_incomp_p
- 2d_yuibm_1
- 3d_electrophysiology_humanhf
- brownian_dynamics
- caffeineedison
- cnt_fet
- cr2d_dyn
- cr2d_st
- csd_elast
- csd_eplast
- dock
- dpd_linear_polymer
- edava
- edisondesigner
- edwave2d
- eklgcmc2
- emega
- galaxytbm
- galaxydock
- galaxyrefine
- galaxytbm
- gamess
- ksec2d_ae
- ksec2d_wm
- lcaodftlab
- m-sketch
- nanowire_fet
- plate_shell_analysis
- pnjunclab
- sfe_calc
- sfe_calc_v2
- solarcell
- solv_freee
- tb_em_negf
- tb_em_negf_tmd
- tb_em_nw
- utb_fet
Effect of hydrogen on adsorption of hydrocarbon fragments on graphene
Effect of hydrogen on adsorption of hydrocarbon fragments on graphene
Challenge 애게서 업로드 하였습니다. 17. 8. 8 오후 1:51 경진대회: 나노물리 나노물리 » 3회 경진대회
버전 1.0
We investigate the effect of hydrogen on adsorption of hydrocarbon molecules on graphene with density functional theory (DFT) calculations. In this study, we calculate the binding energies of hydrogen molecule, carbon atom and other hydrocarbon fragments such as CHx (x=1, 2, 3, 4) on graphene to find the most stable adsorption site. Then, to study the effect of hydrogen, we investigate the adsorption of hydrocarbon fragments in the presence of hydrogen atoms on graphene.
다운로드 (341k) URL 또는 Webdav URL 가져오기