11 papers · 1 filter
Kinetic Processes and surfactant design of Group I elements on CZTS (1-1-2-) surface
Kejie Bao, Haolin Liu, Kinfai Tse +3
Cu2ZnSnS4 (CZTS) is a promising thin-film solar-cell material consisted of earth abundant and nontoxic elements. Yet, there exists a fundamental bottle neck that hinders the perfor…
Carrier free long-range magnetism in Mo doped one quintuple layer Bi2Te3 and Sb2Te3
Xiaodong Zhang, Junyi Zhu
One of the keys to the realization of Quantum Anomalous Hall effect (QAHE) is long range ferromagnetism, which is only experimentally realized in Cr or V doped (Bi,Sb)2Te3 system.…
Intrinsic long range antiferromagnetic coupling in dilutely V doped CuInTe
Weiyi Gong, Ching-Him Leung, Chuen-Keung Sin +4
Despite the various magnetic orders mediated by superexchange mechanism, the existence of a long range antiferromagnetic (AFM) coupling is unknown. Based on DFT calculations, we di…
A protonated brownmillerite electrolyte for superior low-temperature proton conductivity
Nianpeng Lu, Yujia Wang, Shuang Qiao +18
Design novel solid oxide electrolyte with enhanced ionic conductivity forms one of the Holy Grails in the field of materials science due to its great potential for wide range of en…
Missing links towards understanding equilibrium shapes of hexagonal boron nitride: algorithm, hydrogen passivation, and temperature effects
Jingzhao Zhang, Wenjing Zhao, Junyi Zhu
There is a large discrepancy between the experimental observations and the theoretical predictions in the morphology of hexagonal boron nitride (h-BN) nanosheets. Theoretically-pre…
Towards understanding the special stability of and
Sze-Chun Tsang, Jingzhao Zhang, Kinfai Tse +1
Reversible hydrogen incorporation was recently attested [N. Lu, , Nature , 124 (2017)] in , the brownmillerite phase (BM…