Reduction in Photocurrent Loss and Improvement in Performance of Single Junction Solar Cell Due to Multistep Grading of Hydrogenated Amorphous Silicon Germanium Active Layer

Pham, Duy Phong; Kim, Sangho; Park, Jinjoo; Le, Anh Huy Tuan; Cho, Jaehyun; Jung, Junhee; Iftiquar, S.M.; Yi, Junsin

doi:10.1007/s12633-016-9527-4

Cited by 8 publications

(1 citation statement)

References 29 publications

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“…Studies of semiconducting silicon–germanium (SiGe) materials are of technological interest because of their practical application in the microelectronics industry . Moreover, SiGe clusters have attracted great interest for their use in optoelectronic, sensor, and photovoltaic applications. − Understanding semiconducting nanomaterials formation from the pyrolysis of mixtures of silane (SiH 4 ) and germane (GeH 4 ) under even the mildest conditions is still incomplete. − Homogenous gas-phase nanomaterials formation is a complex phenomenon in which hundreds, or possibly thousands, of species undergo simultaneous reaction. During the chemical vapor deposition of SiGe semiconducting nanomaterials, surface reactions play an important role.…”

Section: Introductionmentioning

confidence: 99%

Tuning Hydrogenated Silicon, Germanium, and SiGe Nanocluster Properties Using Theoretical Calculations and a Machine Learning Approach

Choi

Adamczyk

2018

J. Phys. Chem. A

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There are limited studies available that predict the properties of hydrogenated silicon–germanium (SiGe) clusters. For this purpose, we conducted a computational study of 46 hydrogenated SiGe clusters (Si x Ge y H z , 1 < X + Y ≤ 6) to predict the structural, thermochemical, and electronic properties. The optimized geometries of the Si x Ge y H z clusters were investigated using quantum chemical calculations and statistical thermodynamics. The clusters contained 6 to 9 fused Si–Si, Ge–Ge, or Si–Ge bonds, i.e., bonds participating in more than one 3- to 4-membered rings, and different degrees of hydrogenation, i.e., the ratio of hydrogen to Si/Ge atoms varied depending on cluster size and degree of multifunctionality. Our studies have established trends in standard enthalpy of formation, standard entropy, and constant pressure heat capacity as a function of cluster composition and structure. A novel bond additivity correction model for SiGe chemistry was regressed from experimental data on seven acyclic Si/Ge/SiGe species to improve the accuracy of the standard enthalpy of formation predictions. Electronic properties were investigated by analysis of the HOMO–LUMO energy gap to study the effect of elemental composition on the electronic stability of Si x Ge y H z clusters. These properties will be discussed in the context of tailored nanomaterials design and generalized using a machine learning approach.

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