[1] 200309-200702 中科院等离子所 博士研究生

[2] 200009-200307 辽宁工程技术大学 硕士研究生

[3] 199609-200007 辽宁工程技术大学 大学本科

[1] 200704-* 南昌大学 南昌大学

碳二维原子晶体“环十二烯”的理论研究及其子结构的实验制备

典型AB化合物高压相变机理及相变可控性的理论研究

超高压合成新型亚稳材料的第一性原理研究

非金属多孔材料的LUMO和HOMO轨道表面分离机制及光解水应用研究

[1]    Yongzhen Jiang, Wenxu Zou, Yadong Lia and Yingxiang Cai*, Theoretical insights into TM@PHEs as single-atom catalysts for water splitting based on density functional theory. Physical Chemistry Chemical Physics, 24:975-981 (2022).

[2]    Aowen Zhou, Chao Xiong, Jingwen Shi and Yingxiang Cai*. Theoretically investigating the physical properties of fcc-C₃₂ and mediating its electronic band structure. Materials Chemistry and Physics, 258:123853 (2021).

[3]    Chao Xiong, Jingwen Shi, Aowen Zhou and Yingxiang Cai*. A comparative investigation of sp³-hybridized Pm3n-BN and sc-B₁₂N₁₂ based on density functional theory (DFT). Materials Today Communications, 25:101582, (2020).

[4]    Lianfang Xie, Zheng Wang, Xuechun Xu and Yingxiang Cai*. A multiporous carbon family with superior stability, tunable electronic structures and amazing hydrogen storage capability. Physical Chemistry Chemical Physics, 22:9734-9739, (2020).

[5]    Zhihao Xiang, Shuangyu Kang, Xuyang Feng, Huijing Mu and Yingxiang Cai*. Theoretical study of a few 2D polymer networks and MOFs formed by chiral mTBPB molecules. Materials Chemistry and Physics, 244:122705 (2020).

[6]    Shuangyu Kang, Zhihao Xiang, Huijing Mu and Yingxiang Cai*. Mechanical properties, lattice thermal conductivity, infrared and Raman spectrum of the fullerite C₂₄. Physics Letters A, 384:126035 (2020).

[7]    Xuyang Feng, Huijing Mu, Zhihao Xiang and Yingxiang Cai*. Theoretical investigation of negatively curved 6:8²D carbon based on density functional theory. Computational Materials Science, 171:109211 (2020).

[8]    Huijing Mu, Xuyang Feng, Shuangyu Kang and Yingxiang Cai*. Adsorption geometries and interface electronic structure of C60 on Si(100)2×1 reconstruction surface. Surface Science, 690: 121484 (2019).

[9]    Shiqi Liu, Yujun Liang*, Yingli Zhu, Haoran Li, Yingxiang Cai*, Dong Tu*. Full visible spectra emission introduced by crystal-site engineering in β-Ca₃(PO₄)₂-type solid solution phosphors for high quality white light emitting diodes application. Chemical Engineering Journal, 375:121976 (2019).

[10] Hao Wang, Jiangnan Dai, Haiding Sun, Yun Mou, Yingxiang Cai, Renli Liang, Linlin Xu, Yang Gao, Jia Li, Yang Peng and Changqing Chen. Phosphor Glass-Coated Sapphire With Moth-Eye Microstructures for Ultraviolet-Excited White Light-Emitting Diodes, IEEE Transactions on Electron Devices. (2019).

[11] Yingxiang Cai*, Shuangyu Kang, Xuechun Xu. Extremely high tensile strength and superior thermal conductivity of a sp³-hybridized superhard C₂₄ fullerene crystal. Journal of Materials Chemistry A, 7:3426–3431 (2019).

[12] Li Zeng, Yingxiang Cai*, Zhihao Xiang, Yu Zhang, and Xuechun Xu. A new metallic π-conjugated carbon sheet used for the cathode of Li-S batteries. RSC Advances, 9:92-98 (2019).

[13] Weida Fu, Yu Zhang, Jiacheng Shang, Li Zeng, Yingxiang Cai*, Lattice thermal conductivity and bandgap engineering of a three-dimensional sp²-hybridized Dirac carbon material: HS-C₄₈. Computational Materials Science, 155:293-297 (2018).

[14] Yingxiang Cai*, Li Zeng, Yu Zhang and Xuechun Xu. Multiporous sp²-hybridized boron nitride (d-BN): Stability, mechanical properties, lattice thermal conductivity and promising application in energy storage. Physical Chemistry Chemical Physics, 20:20726 – 20731, (2018).

[15] Jiacheng Shang, Jiamin Xiong, Xuechun Xu, Yingxiang Cai*, Three-dimensional hexagonal boron nitride foam containing both sp² and sp³ hybridized bonds. Materials Chemistry and Physics, 217:5-10, (2018).

[16] Yanan Lv, Hao Wang, Yuqing Guo, Bo Jiang, Yingxiang Cai*. Tetragon-based carbon allotropes T-C₈ and its derivatives: A theoretical investigation. Computational Materials Science, 144:170, (2018).

[17] Yu Zhang, Jiacheng Shang, Weida Fu, Li Zeng, Tao Tang, and Yingxiang Cai*, A sp²+sp³ hybridized carbon allotrope transformed from AB stacking graphyne and THD-graphene. AIP Advances, 8:015028 (2018).

[18] Yingxiang Cai*, Yuqing Guo, Bo Jiang, Yanan Lv. Encapsulation of cathode in lithium-sulfur batteries with a novel two-dimensional carbon allotrope: DHP-graphene. Scientific Reports, 7:14948, (2017).

[19] Yingxiang Cai*, Jiamin Xiong, Yabo Liu, Xuechun Xu. Electronic structure and chemical hydrogen storage of a porous sp³ tetragonal BC₂N compound. Journal of Alloys and Compounds, 724:229-233 (2017).

[20] Xuechun Xu, Bo Jiang, Yuqing Guo, Yingxiang Cai*, THD-graphene used for a selective gas detector. Materials Chemistry and Physics, 200:50-56 (2017).

[21] Yingxiang Cai*, Yuqing Guo, Xuechun Xu and Bo Jiang, First-principle investigation 3,4-ethylenedioxythiophene molecule adsorption on Cu(110)-(2 × 1)O surface. Surface Science, 665:83-88 (2017).

[22] Heng Liu, Yujie Hu, Hao Wang, Bo Jiang, Xuechun Xu and Yingxiang Cai*, Dissociation and reconstruction of double-decker bis(phthalocyaninato) terbium(III) complex (TbPc₂) on Pd(001): A theoretical investigation. Surface Science, 655:12 (2017).

[23] Yingxiang Cai*, Hao Wang, Shengliang Xu, Yujie Hu, Ning Liu and Xuechun Xu, Multiporous carbon allotropes transformed from symmetry-matched carbon nanotubes. AIP Advances, 6:065225 (2016).

[24] Yu-Jie Hu, Sheng-Liang Xu, Hao Wang, Heng Liu, Xue-Chun Xu, Ying-Xiang Cai*, Superhard BC₂N: an Orthogonal Crystal Obtained by Transversely Compressing (3,0)-CNTs and (3,0)-BNNTs. Chinese Physics Letters, 33:106102 (2016).

[25] Yingxiang Cai*, Shengliang Xu, Xuelei Qiao, Lidong Wang, Yabo Liu, Tianyu Wang and Xuechun Xu, Chirality control of nonplanar lead phthalocyanine (PbPc) and its potential application in high-density storage: a theoretical investigation. Physical Chemistry Chemical Physics, 17:23651-23656 (2015).

[26] Shengliang Xu, Lidong Wang, Yabo Liu, Rui Yuan, Xuechun Xu, Yingxiang Cai*, Lightweight superhard carbon allotropes obtained by transversely compressing the smallest CNTs under high pressure, Physics Letters A, 379:2116 (2015).

[27] Shengliang Xu, Lidong Wang, Xuelei Qiao, Xuechun Xu and Yingxiang Cai*, Novel BN polymorphs transformed from the smallest BNNTs under high pressure. Computational Materials Science, 110:241-246 (2015).

[28] Juan Liu, Chao Li, Xiaoqing Liu, Yan Lu, Feifei Xiang, Xuelei Qiao, Yingxiang Cai, Zhongping Wang, Sanqiu Liu, and Li Wang. Positioning and Switching Phthalocyanine Molecules on a Cu(100) Surface at Room Temperature. ACS Nano, 8:12734 (2014).

[29] Du Xinli, Chen Feng, Chen Xiu, Wu Xianxin, Cai Yingxiang, Liu Xiaoqing and Wang Li. Adsorption geometry of individual fullerene on Si surface at room-temperature. Applied Physics Letters, 97:253106 (2010).

[30] Chen Feng, Chen Xiu, Liu Lacheng, Song Xin, Liu Shuyi, Liu Juan, Ouyang Hongping, Cai Yingxiang, Liu Xiaoqing, Pan Haibing, Zhu Junfa and Wang Li, Chiral recognition of zinc phthalocyanine on Cu(100) surface, Applied Physics Letters, 100:081602 (2012)

[31] Lacheng Liu, Shuyi Liu,   Xiu Chen, Chao Li, Jie Ling, Xiaoqing Liu, Yingxiang Cai and Li Wang, Switching Molecular Orientation of Individual Fullerene at Room Temperature. Scientific Reports, 3:3062 (2013).

[32] Wu Xianxin, Cai Yingxiang, Xie Qing, Weng Hongming, Fan Heng and Hu Jiangping. Magnetic ordering and multiferroicity in MnI₂, Physical Review B, 86:134413 (2012).

[33] Xiaoqing Liu, Yongli Wang, Xin Song, Feng Chen, Hongping Ouyang, Xueao Zhang, Yingxiang Cai, Xiaoming Liu and Li Wang. Role of Thermal Process on Self-Assembled Structures of 4'-([2,2':6',2''-Terpyridin]-4'-Yl)-[1,1'-Biphenyl]-4-Carboxylic Acid on Au(III). International Journal of Molecular Sciences, 14:5686 (2013).

[34] Ruilin Xu, Juan Liu, Feng Chen, Nianhua Liu, Yingxiang Cai, Xiaoqing Liu, Xin Song, Mingdong Dong and Li Wang*. Room temperature tracking of chiral recognition process at the single molecule level. Nano Research, 8:3505-3511 (2015).

[35] Yingxiang Cai*, Xuelei Qiao, Adsorption and reconstruction of metal-phthalocyanine molecules on Pt(001) investigated by density functional theory, Surface Science, 630:202-207 (2014).

[36] Yingxiang Cai*, Xianxin Wu, Hengjin Liu, Wenchao Fu, Qian Liu, The adsorption and reconstruction of strong electron acceptor tetracyanoethylene (TCNE) on Si(001)-(2×1): A density functional theory investigation, Surface Science, 606: 523 (2012).

[37] Xuefu Zhang, Yingxiang Cai*, Feng Chen, Huihui Kong, Hongping OuYang, Shuyi Liu, Xiaoqing Liu and Li Wang*. Ag-induced Si(100) reconstruction: Si(100)-(2√2×2√2)R45º-Ag. Physical Review B, 84:153411 (2011).

[38] Cai Ying-Xiang* and Xu Rui, First-Principles Study of the γ Angle Deformation Path in the Wurtzite-to-Rocksalt Phase Transition in Aluminum Nitride. Chinese Physics Letters, 27:096402 (2010).

[39] Xinli Du, Feng Chen, Xiu Chen, Xianxin Wu, Yingxiang Cai, Xiaoqing Liu and Li Wang*, Adsorption geometry of individual fullerene on Si surface at room-temperature. Applied Physics Letters, 97:253106 (2010).

[40] Cai Ying-Xiang* and Xu Rui, Synthesizing Metastable Rocksalt-Type MgTe Based on High-Pressure Solid-State Phase Transition: A First-Principles Study. Chinese Physics Letters, 26:113101 (2009).

[41] Liu Changle*, Yu Jie, Wu Songtao, Cai Yingxiang and Pan Wanjiang, Preliminary Design and Analysis of ITER In-Wall Shielding. Plasma Science and Technology, 9:94 (2007).

[42] Yingxiang Cai* and Rui Xu, Atomic mechanism of zinc-blende to NiAs high-pressure phase transition in BeTe. Journal of Physics: Condensed Matter, 20:485218 (2008).

[43] Cai Yingxiang*, Wu Songtao, Yu Jie and Liu Changle, Structural Analysis of ITER Lower In-Vessel-Viewing Port. Plasma Science and Technology, 8:736 (2006).

[44] Cai Yingxiang*, Wu Songtao and Yu Jie, Structural Analysis of the ITER VV Lower Port Region. Plasma Science and Technology, 9:492 (2007).

[45] Cai Yingxiang*, Yu Jie and Wu Songtao, The Effect of Hydrostatic Pressure and Seismic Load on ITER Lower Cryopump Ports. Plasma Science and Technology, 9:216 (2007).

[46] Yingxiang Cai*, Songtao Wu, Rui Xu, and Jie Yu, Pressure-induced phase transition and its atomistic mechanism in BeO: A theoretical calculation. Physical Review B, 73:184104 (2006).

[47] Yingxiang Cai*, Songtao Wu, Jie Yu, and Rui Xu, Structural stability and phase-transition mechanism of MgTe under pressure. Physical Review B, 74: 214112 (2006).