Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study
文献类型：期刊论文
| 作者 | Chen, S ; Liu, JJ ; Wang, LH ; Luo, HJ ; Gao, YF |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2014 |
| 卷号 | 118期号:33页码:18938—18944 |
| 关键词 | METAL-INSULATOR-TRANSITION TOTAL-ENERGY CALCULATIONS DIOXIDE THIN-FILMS WAVE BASIS-SET VANADIUM DIOXIDE PHASE-TRANSITION VISIBLE TRANSMITTANCE ELECTRONIC-PROPERTIES OPTICAL-PROPERTIES MICROSTRUCTURE |
| ISSN号 | 1932-7447 |
| 通讯作者 | jliu@mail.sic.ac.cn ; yfgao@shu.edu.cn |
| 英文摘要 | Tailoring effectively the hysteresis loop width of VO2 semiconductor-metal transition (SMT) is crucial to develop thermal sensor devices. The Ti-doping is known as the most effective method to reduce Delta T-c and has been considered as the prototypical model in understanding the mechanism by which the Delta T-c, of VO2 MST could be manipulated. Here we present a joint experimental and first-principles computational study on non-doped and Ti-doped VO2 to clarify the mechanism of Ti-doping on narrowing the hysteresis loop width of VO2. On the basis of the analyses of differential scanning calorimetry (DSC), we found that phase transition temperatures in the cooling circle increase faster than those in the heating circle with increasing Ti concentrations, exhibiting a hysteresis width reduction at 2 degrees C per Ti at. %. First-principles calculations reveal that dopant Ti atoms break the octahedral symmetry of local structure in VO2 (R) phase. This distortion is propagated in anisotropy and exhibits an obvious nonlocal effect. In contrast, the Ti-doping-induced structural change in VO2 (M) phase is only constrained in Ti-involved chain along the a-axis. The calculated energy profiles for TixV1-xO2 phase transition shows that structural stability and activation energies increased with the increase of Ti concentration. The activation barriers in Ti-doped VO2 (R) phases are increased more remarkably than that in Ti-doped VO2 (M) phases, which is consistent with experimental observation of concentration-dependent reduction of thermal hysteresis width. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000340809600014 |
| 公开日期 | 2015-03-13 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/14542]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Chen, S,Liu, JJ,Wang, LH,et al. Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2014,118(33):18938—18944. |
| APA | Chen, S,Liu, JJ,Wang, LH,Luo, HJ,&Gao, YF.(2014).Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study.JOURNAL OF PHYSICAL CHEMISTRY C,118(33),18938—18944. |
| MLA | Chen, S,et al."Unraveling Mechanism on Reducing Thermal Hysteresis Width of VO2 by Ti Doping: A Joint Experimental and Theoretical Study".JOURNAL OF PHYSICAL CHEMISTRY C 118.33(2014):18938—18944. |
入库方式： OAI收割
来源：上海应用物理研究所
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