In this study,the structural and electronic properties of armchair graphdiyne nanoribbons,which have different widths are studied using the first principle calculation.The results indicate that all studied AGDYNRs sho...In this study,the structural and electronic properties of armchair graphdiyne nanoribbons,which have different widths are studied using the first principle calculation.The results indicate that all studied AGDYNRs show semiconducting behavior in which the band gap values decrease with the increase of nanoribbons width.The electronic and electrical properties of the graphdiyne sandwiched between two graphene nanoribbons are also investigated.The findings of our study indicate that among 4 investigated n-G-GDY-G-NR structures,the highest current is calculated for n = 3(3-G-GDY-G-NR),due to phase transition.展开更多
Defect-based engineering of carbon nanostructures is becoming an important and powerful method to modify the electron transport properties in graphene nanoribbon FETs. In this paper, the impact of the position and sym...Defect-based engineering of carbon nanostructures is becoming an important and powerful method to modify the electron transport properties in graphene nanoribbon FETs. In this paper, the impact of the position and symmetry of the ISTW defect on the performance of low dimensional 9AGNR double-gate graphene nanoribbon FET (DG-GNRFET) is investigated. Analyzing the transmission spectra, density of states and current-voltage characteristics shows that the defect effect on the electron transport is considerably varied depending on the positions and the orientations (the symmetric and asymmetric configuration) of the ISTW defect in the channel length. Based on the results, the asymmetric ISTW defect leads to a more controllability of the gate voltages over drain current, and drain current increases more than 5 times. The results have also con rmed the ISTW defect engineering potential on controlling the channel electrical current of DG-AGNR FET.展开更多
The effect of terminal groups on the electron transport through metal-molecule-metal system has been investigated using nonequilibrium Green's function (NEGF) formalism combined with extended Huckel theory (EHT). ...The effect of terminal groups on the electron transport through metal-molecule-metal system has been investigated using nonequilibrium Green's function (NEGF) formalism combined with extended Huckel theory (EHT). Au-molecule-Au junctions are constructed with borazine and BCN unit structure as core molecule and sulphur (S), oxygen (O), selenium (Se) and cyano-group (CN) as terminal groups. The electron transport characteristics of the borazine and BCN molecular systems are analyzed through the transmission spectra and the current-voltage curve. The results demonstrate that the terminal groups modifying the transport behaviors of these systems in a controlled way. Our result shows that, selenium is the best linker to couple borazine to Au electrode and oxygen is the best one to couple BCN to Au electrode. Furthermore, the results of borazine systems are compared with that of BCN molecular systems and are discussed. Simulation results show that the conductance through BCN molecular systems is four times larger than the borazine molecular systems. Negative differential resistance behavior is observed with borazine-CN system and the saturation feature appears in BCN systems.展开更多
Nanowire field effect transistors can be modeled for ultrasensitive charge detection based bio- or chemical sensors. As critical dimensions of the nanowire sensor can be of the same order of size of biological molecul...Nanowire field effect transistors can be modeled for ultrasensitive charge detection based bio- or chemical sensors. As critical dimensions of the nanowire sensor can be of the same order of size of biological molecules or chemical species yielding exceptional sensing possibilities. In addition, the large surface/volume ratio will give high sensitivities simply because surface effects dominate over bulk properties. Thus, we modeled Si nanowire with different geometries in the different chemical environment using NEGF approach. To analyze the performance, the sensitivity of Si nanowire with different cross sections including circular, rectangular, and triangular is derived by two definitions. It is calculated that the sensitivity of Si nanowire with different structures is a function of geometrical parameters and doping density. It is illustrated that the sensitivity varies inversely with cross-section area, doping density, and also the length of nanowire.展开更多
基金National Natural Science Foundation of China under National Outstanding Young Scientist Award (60788402)National Science Foundation of China (60976067)Fundamental Research Funds for the Central Universities (3101033,1101001,3104009)
文摘In this study,the structural and electronic properties of armchair graphdiyne nanoribbons,which have different widths are studied using the first principle calculation.The results indicate that all studied AGDYNRs show semiconducting behavior in which the band gap values decrease with the increase of nanoribbons width.The electronic and electrical properties of the graphdiyne sandwiched between two graphene nanoribbons are also investigated.The findings of our study indicate that among 4 investigated n-G-GDY-G-NR structures,the highest current is calculated for n = 3(3-G-GDY-G-NR),due to phase transition.
文摘Defect-based engineering of carbon nanostructures is becoming an important and powerful method to modify the electron transport properties in graphene nanoribbon FETs. In this paper, the impact of the position and symmetry of the ISTW defect on the performance of low dimensional 9AGNR double-gate graphene nanoribbon FET (DG-GNRFET) is investigated. Analyzing the transmission spectra, density of states and current-voltage characteristics shows that the defect effect on the electron transport is considerably varied depending on the positions and the orientations (the symmetric and asymmetric configuration) of the ISTW defect in the channel length. Based on the results, the asymmetric ISTW defect leads to a more controllability of the gate voltages over drain current, and drain current increases more than 5 times. The results have also con rmed the ISTW defect engineering potential on controlling the channel electrical current of DG-AGNR FET.
基金Supported by DST-FIST Project.financial support from DST-FIST, Government of India
文摘The effect of terminal groups on the electron transport through metal-molecule-metal system has been investigated using nonequilibrium Green's function (NEGF) formalism combined with extended Huckel theory (EHT). Au-molecule-Au junctions are constructed with borazine and BCN unit structure as core molecule and sulphur (S), oxygen (O), selenium (Se) and cyano-group (CN) as terminal groups. The electron transport characteristics of the borazine and BCN molecular systems are analyzed through the transmission spectra and the current-voltage curve. The results demonstrate that the terminal groups modifying the transport behaviors of these systems in a controlled way. Our result shows that, selenium is the best linker to couple borazine to Au electrode and oxygen is the best one to couple BCN to Au electrode. Furthermore, the results of borazine systems are compared with that of BCN molecular systems and are discussed. Simulation results show that the conductance through BCN molecular systems is four times larger than the borazine molecular systems. Negative differential resistance behavior is observed with borazine-CN system and the saturation feature appears in BCN systems.
文摘Nanowire field effect transistors can be modeled for ultrasensitive charge detection based bio- or chemical sensors. As critical dimensions of the nanowire sensor can be of the same order of size of biological molecules or chemical species yielding exceptional sensing possibilities. In addition, the large surface/volume ratio will give high sensitivities simply because surface effects dominate over bulk properties. Thus, we modeled Si nanowire with different geometries in the different chemical environment using NEGF approach. To analyze the performance, the sensitivity of Si nanowire with different cross sections including circular, rectangular, and triangular is derived by two definitions. It is calculated that the sensitivity of Si nanowire with different structures is a function of geometrical parameters and doping density. It is illustrated that the sensitivity varies inversely with cross-section area, doping density, and also the length of nanowire.
