4 papers
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Li Fu, Longfei Lv, Fan Zhang +3
Singlet fission (SF) provides a promising strategy for surpassing the Shockley-Queisser limit in photovoltaics. However, the identification of efficient SF materials is hindered by…
Understanding the atomically precise evolution of the miscibility of newly prepared face-centered cubic W-Cu nanoalloys and its asymmetry
Yongxin Zhang, Weihan Zhang, Luneng Zhao +16
According to classical Miedema theory, reducing crystals to the order of nanometer sizes might greatly modulate the mixing enthalpy of elements, thus enabling the invention of a lo…
Efficiently charting the space of mixed vacancy-ordered perovskites by machine-learning encoded atomic-site information
Fan Zhang, Li Fu, Weiwei Gao +2
Vacancy-ordered double perovskites (VODPs) are promising alternatives to three-dimensional lead halide perovskites for optoelectronic and photovoltaic applications. Mixing these ma…
Robust altermagnetism and compensated ferrimagnetism in MnPX-based (X = S or Se) heterostructures
Yunsong Liu, Yanlong Liu, Xuefei Wang +6
The recent research interests in the non-relativistic spin splitting of electronic band structures have led to the exploration of altermagnets and other compensated magnets. Here,…