Chemoresistive sensing of light alkanes with SnO2 nanocrystals: a DFT-based insight.
نویسندگان
چکیده
Density functional theory (DFT) modelling of the alkane-SnO2 surface interaction correctly predicts the results of the chemoresistive alkane sensing tests, provided that the highly reduced nature of the SnO2 nanocrystal surface is properly inserted in the model.
منابع مشابه
An olive-shaped SnO2 nanocrystal-based low concentration H2S gas sensor with high sensitivity and selectivity.
Olive-shaped SnO2 nanocrystals were synthesized successfully via a facile hydrothermal route, using tin dichloride hydrate, oxalic acid dihydrate and polyvinylpyrrolidone as reaction precursors, and showed great potential in the large-scale preparation of SnO2 nanocrystals. The prepared SnO2 nanocrystals were characterized using XRD, XPS, SEM, TEM and HRTEM, and showed well-defined olive-shaped...
متن کاملGas Sensing of SnO2 Nanocrystals Revisited: Developing Ultra-Sensitive Sensors for Detecting the H2S Leakage of Biogas
As a typical mode of energy from waste, biogas technology is of great interest to researchers. To detect the trace H2S released from biogas, we herein demonstrate a high-performance sensor based on highly H2S-sensitive SnO2 nanocrystals, which have been selectively prepared by solvothermal methods using benzimidazole as a mineralization agent. The sensitivity of as-obtained SnO2 sensor towards ...
متن کاملThe Study of Pure and Mn Doped ZnO Nanocrystals for Gas-sensing Applications
ZnO and ZnO: Mn nanocrystals were synthesized via reverse micelle method. The structural properties of nanocrystals were investigated by XRD. The XRD results indicated that the synthesized nanocrystals had a pure wurtzite (hexagonal phase) structure. Resistive gas sensors were fabricated by providing ohmic contacts on the tablet obtained from compressed nanocrystals powder and the installation ...
متن کاملThe Study of Pure and Mn Doped ZnO Nanocrystals for Gas-sensing Applications
ZnO and ZnO: Mn nanocrystals were synthesized via reverse micelle method. The structural properties of nanocrystals were investigated by XRD. The XRD results indicated that the synthesized nanocrystals had a pure wurtzite (hexagonal phase) structure. Resistive gas sensors were fabricated by providing ohmic contacts on the tablet obtained from compressed nanocrystals powder and the installation ...
متن کاملNew Method for Synthesis of Zinc Metaborate Zn4B6O13 Crystals via Sol-Gel Process and Investigation of DFT Calculations
In this work facile sol-gel (pechni) method has been successfully established to synthesize Zn4B6O13 nanocrystals which have cubic crystals with lattice parameter: a =7.48 A. The structure and morphology of the obtained material were studied by X-ray diffraction (XRD), Infrared spectra (IR), scanning electron microscopy (SEM) and photoluminescence analysis. The experimental results show a band ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 11 19 شماره
صفحات -
تاریخ انتشار 2009