The DOI matches its Crossref record; 29 of the 29 references it cites were found in a registry or an index.
Monolayer Ti2CO2: A Promising Candidate for NH3 Sensor or Capturer with High Sensitivity and Selectivity
Abstract
Ti2C is one of the thinnest layers in MXene family with high potential for applications. In the present study, the adsorption of NH3, H2, CH4, CO, CO2, N2, NO2, and O2 on monolayer Ti2CO2 was investigated by using first-principles simulations to exploit its potential applications as gas sensor or capturer. Among all the gas molecules, only NH3 could be chemisorbed on Ti2CO2 with apparent charge transfer of 0.174 e. We further calculated the current-voltage (I-V) relation using the nonequilibrium Green's function (NEGF) method. The transport feature exhibits distinct responses with a dramatic change of I-V relation before and after NH3 adsorption on Ti2CO2. Thus, we predict that Ti2CO2 could be a promising candidate for the NH3 sensor with high selectivity and sensitivity. On the other hand, the adsorption of NH3 on Ti2CO2 could be further strengthened with the increase of applied strain on Ti2CO2, while the adsorption of other gases on Ti2CO2 is still weak under the same strain, indicating that the capture of NH3 on Ti2CO2 under the strain is highly preferred over other gas molecules. Moreover, the adsorbed NH3 on Ti2CO2 could be escapable by releasing the applied strain, which indicates the capture process is reversible. Our study widens the application of monolayer Ti2CO2 not only as the battery material, but also as the potential gas sensor or capturer of NH3 with high sensitivity and selectivity.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Grimme, S. (2006) · Journal of Computational Chemistry · doi:10.1002/jcc.20495 · Cited by 31,038
25th Anniversary Article: MXenes: A New Family of Two‐Dimensional Materials
Naguib, M., Mochalin, V. N., Barsoum, M. W., & Gogotsi, Y. (2014) · Advanced Materials · doi:10.1002/adma.201304138 · Cited by 6,414
Density-functional method for nonequilibrium electron transport
Brandbyge, M., Mozos, J.-L., Ordejón, P., Taylor, J., & Stokbro, K. (2002) · Physical Review B · doi:10.1103/physrevb.65.165401 · Cited by 5,793
Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide
Lukatskaya, M. R., Mashtalir, O., Ren, C. E., Dall’Agnese, Y., Rozier, P., Taberna, P. L., Naguib, M., Simon, P., Barsoum, M. W., & Gogotsi, Y. (2013) · Science · doi:10.1126/science.1241488 · Cited by 4,320
Theory and Application for the Scanning Tunneling Microscope
Tersoff, J., & Hamann, D. R. (1983) · Physical Review Letters · doi:10.1103/physrevlett.50.1998 · Cited by 2,554
Novel Electronic and Magnetic Properties of Two‐Dimensional Transition Metal Carbides and Nitrides
Khazaei, M., Arai, M., Sasaki, T., Chung, C., Venkataramanan, N. S., Estili, M., Sakka, Y., & Kawazoe, Y. (2013) · Advanced Functional Materials · doi:10.1002/adfm.201202502 · Cited by 1,998
Xie, Y., Naguib, M., Mochalin, V. N., Barsoum, M. W., Gogotsi, Y., Yu, X., Nam, K.-W., Yang, X.-Q., Kolesnikov, A. I., & Kent, P. R. C. (2014) · Journal of the American Chemical Society · doi:10.1021/ja501520b · Cited by 1,537
Self-citationWang, Y., & Perdew, J. P. (1991) · Physical Review B · doi:10.1103/physrevb.44.13298 · Cited by 1,462
Zhang, Y.-H., Chen, Y.-B., Zhou, K.-G., Liu, C.-H., Zeng, J., Zhang, H.-L., & Peng, Y. (2009) · Nanotechnology · doi:10.1088/0957-4484/20/18/185504 · Cited by 1,331
Ammonia and related chemicals as potential indirect hydrogen storage materials
Lan, R., Irvine, J. T. S., & Tao, S. (2012) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2011.10.004 · Cited by 1,207
Two dimensional nanomaterials for flexible supercapacitors
Peng, X., Peng, L., Wu, C., & Xie, Y. (2014) · Chemical Society Reviews · doi:10.1039/c3cs60407a · Cited by 1,115
Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I–V Response
Kou, L., Frauenheim, T., & Chen, C. (2014) · The Journal of Physical Chemistry Letters · doi:10.1021/jz501188k · Cited by 1,045
Ammonia as a possible element in an energy infrastructure: catalysts for ammonia decomposition
Schüth, F., Palkovits, R., Schlögl, R., & Su, D. S. (2012) · Energy Environ. Sci. · doi:10.1039/c2ee02865d · Cited by 828
Synthesis of Two-Dimensional Materials by Selective Extraction
Naguib, M., & Gogotsi, Y. (2015) · Accounts of Chemical Research · doi:10.1021/ar500346b · Cited by 743
Charge-transfer-based Gas Sensing Using Atomic-layer MoS2
Cho, B., Hahm, M. G., Choi, M., Yoon, J., Kim, A. R., Lee, Y.-J., Park, S.-G., Kwon, J.-D., Kim, C. S., Song, M., et al. (2015) · Scientific Reports · doi:10.1038/srep08052 · Cited by 649
First principles study of two-dimensional early transition metal carbides
Kurtoglu, M., Naguib, M., Gogotsi, Y., & Barsoum, M. W. (2012) · MRS Communications · doi:10.1557/mrc.2012.25 · Cited by 579
Towards an ammonia-mediated hydrogen economy?
Christensen, C. H., Johannessen, T., Sørensen, R. Z., & Nørskov, J. K. (2006) · Catalysis Today · doi:10.1016/j.cattod.2005.10.011 · Cited by 549
Energetics, Charge Transfer, and Magnetism of Small Molecules Physisorbed on Phosphorene
Cai, Y., Ke, Q., Zhang, G., & Zhang, Y.-W. (2015) · The Journal of Physical Chemistry C · doi:10.1021/jp510863p · Cited by 408
A Non-Aqueous Asymmetric Cell with a Ti2C-Based Two-Dimensional Negative Electrode
Come, J., Naguib, M., Rozier, P., Barsoum, M. W., Gogotsi, Y., Taberna, P.-L., Morcrette, M., & Simon, P. (2012) · Journal of The Electrochemical Society · doi:10.1149/2.003208jes · Cited by 395
CO2 Capture on h-BN Sheet with High Selectivity Controlled by External Electric Field
Guo, H., Zhang, W., Lu, N., Zhuo, Z., Zeng, X. C., Wu, X., & Yang, J. (2015) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.5b00681 · Cited by 234
Ammonia gas sensing behavior of graphene surface decorated with gold nanoparticles
Gautam, M., & Jayatissa, A. H. (2012) · Solid-State Electronics · doi:10.1016/j.sse.2012.05.059 · Cited by 214
Indirect, Reversible High-Density Hydrogen Storage in Compact Metal Ammine Salts
Sørensen, R. Z., Hummelshøj, J. S., Klerke, A., Reves, J. B., Vegge, T., Nørskov, J. K., & Christensen, C. H. (2008) · Journal of the American Chemical Society · doi:10.1021/ja076762c · Cited by 209
Strain engineering of selective chemical adsorption on monolayer MoS2
Kou, L., Du, A., Chen, C., & Frauenheim, T. (2014) · Nanoscale · doi:10.1039/c3nr06670c · Cited by 208
Ammonia-sensing characteristics of Pt and SiO2 doped SnO2 materials
Wang, Y. D., Wu, X., Su, Q., Li, Y., & Zhou, Z. (2001) · Solid-State Electronics · doi:10.1016/s0038-1101(00)00231-8 · Cited by 139
Self-citationA high-density ammonia storage/delivery system based on Mg(NH3)6Cl2 for SCR – DeNO x in vehicles
Elmøe, T. D., Sørensen, R. Z., Quaade, U. J., Christensen, C. H., Nørskov, J. K., & Johannessen, T. (2006) · Chemical Engineering Science · doi:10.1016/j.ces.2005.11.038 · Cited by 102
Lysgaard, S., Ammitzbøll, A. L., Johnsen, R. E., Norby, P., Quaade, U. J., & Vegge, T. (2012) · International Journal of Hydrogen Energy · doi:10.1016/j.ijhydene.2012.09.129 · Cited by 45
Cited by
Metallic Ti3C2T x MXene Gas Sensors with Ultrahigh Signal-to-Noise Ratio
Kim, S. J., Koh, H.-J., Ren, C. E., Kwon, O., Maleski, K., Cho, S.-Y., Anasori, B., Kim, C.-K., Choi, Y.-K., Kim, J., et al. (2018) · ACS Nano · doi:10.1021/acsnano.7b07460 · Cited by 1,699
2D MXenes: A New Family of Promising Catalysts for the Hydrogen Evolution Reaction
Gao, G., O’Mullane, A. P., & Du, A. (2017) · ACS Catalysis · doi:10.1021/acscatal.6b02754 · Cited by 1,153
Jiang, X., Kuklin, A. V., Baev, A., Ge, Y., Ågren, H., Zhang, H., & Prasad, P. N. (2020) · Physics Reports · doi:10.1016/j.physrep.2019.12.006 · Cited by 914
Room Temperature Gas Sensing of Two-Dimensional Titanium Carbide (MXene)
Lee, E., VahidMohammadi, A., Prorok, B. C., Yoon, Y. S., Beidaghi, M., & Kim, D.-J. (2017) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.7b11055 · Cited by 878
Two‐Dimensional Nanostructured Materials for Gas Sensing
Liu, X., Ma, T., Pinna, N., & Zhang, J. (2017) · Advanced Functional Materials · doi:10.1002/adfm.201702168 · Cited by 851
Metadata
- Authors
- Yu, X.-F., Li, Y.-C., Cheng, J.-B., Liu, Z.-B., Li, Q.-Z., Li, W.-Z., Yang, X., & Xiao, B.
- Venue
- ACS Applied Materials & Interfaces
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-06-12
- Volume
- 7
- Issue
- 24
- Pages
- 13707-13713
- ISSN
- 1944-8244 (ISSN-L)
- 1944-8252
- OpenAlex
- W643015753
- Cited by
- 676
- References
- 29
- FWCI
- 14.12
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
