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2篇 您的检索式：作者名="Gilberto Teobaldi"

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		题名	作者	年代	出处	被引量
	1	Polaron-assisted nonadiabatic dynamics in protonated TiO_(2) with surface water molecule显示文摘We investigated the polaron-assisted nonadiabatic dynamics in protonated TiO_(2),as well as the polaron-H_(2)O coupling and its effects on the relaxation of photogenerated electrons.We observed that different polaron hopping regimes result in varied nonadiabatic couplings and relaxations of excited electrons from the conduction band minimum to the gap states of protonated TiO_(2),with a weak dependence on the actual trapping site of the polaron.Surface-adsorbed H_(2)O molecules can attract polarons toward the adsorbed Ti sites,with the coupling between H_(2)O and the polaron being inversely proportional to their distance.Our findings suggest that the lifetime of the photogenerated charge carriers can be extended by reducing the polaron-H_(2)O distances,with expected benefits to the efficiency of the reduced TiO 2 samples for photocatalytic applications.	Zhongfei Xu Chuanjia Tong Rutong Si Gilberto Teobaldi Limin Liu	2023	ChemPhysMater2023，2，4：	0
	2	The unique carrier mobility of Janus MoSSe/GaN heterostructures显示文摘Heterostructure is an effective approach in modulating the physical and chemical behavior of materials. Here, the first-principles calculations were carried out to explore the structural, electronic, and carrier mobility properties of Janus MoSSe/GaN heterostructures. This heterostructure exhibits a superior high carrier mobility of 281.28 cm^(2)·V^(−1)·s^(−1) for electron carrier and 3951.2 cm^(2)·V^(−1)·s^(−1) for hole carrier. Particularly, the magnitude of the carrier mobility can be further tuned by Janus structure and stacking modes of the heterostructure. It is revealed that the equivalent mass and elastic moduli strongly affect the carrier mobility of the heterostructure, while the deformation potential contributes to the different carrier mobility for electron and hole of the heterostructure. These results suggest that the Janus MoSSe/GaN heterostructures have many potential applications for the unique carrier mobility.	Wen-Jin Yin Xiao-Long Zeng Bo Wen Qing-Xia Ge Ying Xu Gilberto Teobaldi Li-Min Liu	2021	Frontiers of physics2021，16，3：	0

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