Browsing by Author "Liu, X."
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Item High Thermal Conductivity in Isotopically Enriched Cubic Boron Phosphide(WILEY-VCH Verlag GmbH & Co.) Zheng, Q.; Li, S.; Li, C.; Lv, Y.; Liu, X.; Huang, P. Y.; Broido, D. A.; Lv, Bing; Cahill, D. G.; Li, S.; Liu, X.; Lv, BingZinc blende boron arsenide (BAs), boron phosphide (BP), and boron nitride (BN) have attracted significant interest in recent years due to their high thermal conductivity (Λ) predicted by first-principles calculations. This research reports the study of the temperature dependence of Λ (120 K < T < 600 K) for natural isotope-abundance BP and isotopically enriched 11BP crystals grown from modified flux reactions. Time-domain thermoreflectance is used to measure Λ of sub-millimeter-sized crystals. At room temperature, Λ for BP and 11BP is 490 and 540 W m−1 K−1, respectively, surpassing the values of conventional high Λ materials such as Ag, Cu, BeO, and SiC. The Λ of BP is smaller than only cubic BN, diamond, graphite, and BAs among single-phase materials. The measured Λ for BP and 11BP is in good agreement with the first-principles calculations above 250 K. The quality of the crystals is verified by Raman spectroscopy, X-ray diffraction, and scanning transmission electron microscopy. By combining the first-principles calculations and Raman measurements, a previously misinterpreted Raman mode is reassigned. Thus, BP is a promising material not only for heat spreader applications in high-power microelectronic devices but also as an electronic material for use in harsh environments. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, WeinheimItem Prediction of High-Risk Types of Human Papillomaviruses Using Statistical Model of Protein “Sequence Space”(Hindawi Publishing Corporation, 2015-03-21) Wang, C.; Hai, Y.; Liu, X.; Liu, N.; Yao, Y.; He, P.; Dai, QiDiscrimination of high-risk types of human papillomaviruses plays an important role in the diagnosis and remedy of cervical cancer. Recently, several computational methods have been proposed based on protein sequence-based and structure-based information, but the information of their related proteins has not been used until now. In this paper, we proposed using protein "sequence space" to explore this information and used it to predict high-risk types of HPVs. The proposed method was tested on 68 samples with known HPV types and 4 samples without HPV types and further compared with the available approaches. The results show that the proposed method achieved the best performance among all the evaluated methods with accuracy 95.59% and F1-score 90.91%, which indicates that protein "sequence space" could potentially be used to improve prediction of high-risk types of HPVs.Item Tuning the Structure of Bifunctional Pt/SmMn₂O₅ Interfaces for Promoted Low-Temperature CO Oxidation Activity(Royal Society of Chemistry, 2019-01-30) Liu, X.; Yang, J.; Shen, G.; Shen, M.; Zhao, Y.; Cho, Kyeongjae; Shan, Bin; Chen, R.; 0000-0003-2698-7774 (Cho, K); 0000-0001-7800-0762 (Shan, B); Cho, Kyeongjae; Shan, BinThe interfacial structure of metal-oxide composite catalysts plays a vital role in heterogeneous catalysis, which is crucial to the adsorption and activation of reactants. Herein, the interfacial effects of bare and Fe/Co/Ni doped Pt/SmMn₂O₅ mullite oxide supported Pt clusters on CO oxidation have been investigated by first-principles based microkinetics analysis. A robust formation of Pt/Mn₂ trimer structures is demonstrated at the bifunctional interfaces irrespective of the Pt_{n} cluster's size, which can provide spatially separated sites for CO adsorption and O₂ dissociation. The binding strength of CO at the interfacial Pt sites is in the optimal range due to the charge transfer from Pt clusters to oxide, while the strong polarization of Mn₂ dimers induced by Pt clusters with stable three-dimensional morphologies can lower the energy barrier of O₂ dissociation. Based on the microkinetics analysis, the O₂ dissociation is the rate-determining step in the full CO oxidation cycle, and the introduction of Mn-Fe hetero-dimers at the interface is predicted to further enhance the low temperature CO oxidation activity of Pt/SmMn₂O₅ catalysts. © The Royal Society of Chemistry 2019.