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		题名	作者	年代	出处	被引量
	1	Interfacial properties of 2D WS_(2)on SiO_(2)substrate from X-ray photoelectron spectroscopy and firstprinciples calculations显示文摘Two-dimensional(2D)WS_(2)films were deposited on SiO_(2)wafers,and the related interfacial properties were investigated by high-resolution X-ray photoelectron spectroscopy(XPS)and first-principles calculations.Using the direct(indirect)method,the valence band offset(VBO)at monolayer WS_(2)/SiO_(2)interface was found to be 3.97 eV(3.86 eV),and the conduction band offset(CBO)was 2.70 eV(2.81 eV).Furthermore,the VBO(CBO)at bulk WS_(2)/SiO_(2)interface is found to be about 0.48 eV(0.33 eV)larger due to the interlayer orbital coupling and splitting of valence and conduction band edges.Therefore,the WS_(2)/SiO_(2)heterostructure has a Type I energy-band alignment.The band offsets obtained experimentally and theoretically are consistent except the narrower theoretical bandgap of SiO_(2).The theoretical calculations further reveal a binding energy of 75 meV per S atom and the totally separated partial density of states,indicating a weak interaction and negligible Fermi level pinning effect between WS_(2)monolayer and SiO_(2)surface.Our combined experimental and theoretical results provide proof of the sufficient VBOs and CBOs and weak interaction in 2D WS_(2)/SiO_(2)heterostructures.	Changjie Zhou Huili Zhu Weifeng Yang Qiubao Lin Tongchang Zheng Lan Yang Shuqiong Lan	2022	Frontiers of physics2022，17，5：	0
	2	Energy band alignment of 2D/3D MoS_(2)/4H-SiC heterostructure modulated by multiple interfacial interactions显示文摘The interfacial properties of MoS_(2)/4H-SiC heterostructures were studied by combining first-principles calculations and X-ray photoelectron spectroscopy.Experimental(theoretical)valence band offsets(VBOs)increase from 1.49(1.46)to 2.19(2.36)eV with increasing MoS_(2) monolayer(1L)up to 4 layers(4L).A strong interlayer interaction was revealed at 1L MoS_(2)/SiC interface.Fermi level pinning and totally surface passivation were realized for 4H-SiC(0001)surface.About 0.96e per unit cell transferring forms an electric field from SiC to MoS_(2).Then,1L MoS_(2)/SiC interface exhibits type I band alignment with the asymmetric conduction band offset(CBO)and VBO.For 2L and 4L MoS_(2)/SiC,Fermi level was just pinning at the lower MoS_(2)1L.The interaction keeps weak vdW interaction between upper and lower MoS_(2) layers.They exhibit the type II band alignments and the enlarged CBOs and VBOs,which is attributed to weak vdW interaction and strong interlayer orbital coupling in the multilayer MoS_(2).High efficiency of charge separation will emerge due to the asymmetric band alignment and built-in electric field for all the MoS_(2)/SiC interfaces.The multiple interfacial interactions provide a new modulated perspective for the next-generation electronics and optoelectronics based on the 2D/3D semiconductors heterojunctions.	Huili Zhu Zifan Hong Changjie Zhou Qihui Wu Tongchang Zheng Lan Yang Shuqiong Lan Weifeng Yang	2023	Frontiers of physics2023，18，1：	0

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