2017
DOI: 10.1007/s12274-017-1718-9
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Highly sensitive hybrid nanofiber-based room-temperature CO sensors: Experiments and density functional theory simulations

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Cited by 45 publications
(24 citation statements)
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“…The bond lengths between the ethanol, methanol, ammonia, and acetone and the OH‐terminated Ti 3 C 2 MXene were 1.13, 2.12, 1.89, and 1.34 å, respectively (Figure S11), and the adsorption energy (DFT calculated) was up to −0.985, −0.354, −0.515, and − 0.609 eV (Figure E), respectively. Obviously, the bond length for the adsorption of ethanol is smaller than other gas molecules, indicating the much stronger interface interaction in ethanol sensing layer …”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…The bond lengths between the ethanol, methanol, ammonia, and acetone and the OH‐terminated Ti 3 C 2 MXene were 1.13, 2.12, 1.89, and 1.34 å, respectively (Figure S11), and the adsorption energy (DFT calculated) was up to −0.985, −0.354, −0.515, and − 0.609 eV (Figure E), respectively. Obviously, the bond length for the adsorption of ethanol is smaller than other gas molecules, indicating the much stronger interface interaction in ethanol sensing layer …”
Section: Resultsmentioning
confidence: 99%
“…Obviously, the bond length for the adsorption of ethanol is smaller than other gas molecules, indicating the much stronger interface interaction in ethanol sensing layer. 44,45 In addition to the basic tests above, we also studied the flexibility of PANI/Ti 3 C 2 T x -based flexible sensors. Figure 5A shows an optical image of the as-prepared gas sensor with good mechanical flexibility.…”
Section: Resultsmentioning
confidence: 99%
“…Exactly, the latter one is more trustable and solid results to support the mechanism study, e.g., in situ FTIR [183,184], in situ Kelvin probe [185], in situ STM [186,187], in situ TEM [188,189]). In addition, Theoretically studies (such as DFT simulation) [190], are also helpful for researchers to understand the interaction between the gas analyte and sensitive materials, the succedent electronic structure changes, or band gap regulation in heterojunction, or charge transfer, etc., which can guide the orientation of materials design [70,[190][191][192][193][194][195]. Otherwise, learning theoretical studies toward hybrid catalyst designs can inspire the further researches on hybrid gas sensing due to the similar surface physical/chemical science, band gap theories, and charge transfer process [196][197][198][199][200][201].…”
Section: Challenges and Perspectivesmentioning
confidence: 99%
“…1D nanomaterials with attractive features, serving as an outstanding sensing layer, have shown more possibilities in chemical sensor . However, the nanostructures with individual components always impede their improvement of gas sensing performances.…”
Section: Introductionmentioning
confidence: 99%
“…However, the nanostructures with individual components always impede their improvement of gas sensing performances. Construction of multidimensional nanostructure with hybrid compositions (such as 0D–1D and 1D–1D composites) offers an intelligent way to optimize the sensing ability . The appealing advantage of using 1D nanostructure as backbone can achieve a uniform distribution of secondary nanomaterials, leading to large surface areas and synergistic effect in heterojunctions.…”
Section: Introductionmentioning
confidence: 99%