133 citations · 171 across the 5 of their papers we have counts for
5 papers
Enhanced piezoelectric response of AlN via alloying of transitional metals, and influence of type and distribution of transition metals
Xian-Hu Zha, Xiufang Ma, Jing-Ting Luo +1
Aluminum nitride (AlN) is an important piezoelectric material for a wide range of applications, many efforts are devoted to improving its piezoelectric response by alloying with tr…
The impacts of optimization algorithm and basis size on the accuracy and efficiency of variational quantum eigensolver
Xian-Hu Zha, Chao Zhang, Dengdong Fan +4
Variational quantum eigensolver (VQE) is demonstrated to be the promising methodology for quantum chemistry based on near-term quantum devices. However, many problems are yet to be…
A general Lewis acidic etching route for preparing MXenes with enhanced electrochemical performance in non-aqueous electrolyte
Youbing Li, Hui Shao, Zifeng Lin +14
Two-dimensional carbides and nitrides of transition metals, known as MXenes, are a fast-growing family of 2D materials that draw attention as energy storage materials. So far, MXen…
Multielemental single-atom-thick A layers in nanolaminated V2(Sn, A)C (A=Fe, Co, Ni, Mn) for tailoring magnetic properties
Youbing Li, Jun Lu, Mian Li +11
Tailoring of individual single-atom-thick layers in nanolaminated materials offers atomic-level control over material properties. Nonetheless, multielement alloying in individual a…
The thermal and electrical properties of the promising semiconductor MXene Hf2CO2
Xian-Hu Zha, Qing Huang, Jian He +5
In this work, we investigate the thermal and electrical properties of oxygen-functionalized M2CO2 (M = Ti, Zr, Hf) MXenes using first-principles calculations. Hf2CO2 is found to ex…