Publications by Xiao Zhou | EPFL Graph Search

Critical assessment of hydrogen pipe diffusion at dislocations in metals

Hydrogen-dislocation interactions have always been a crucial problem in understanding and predicting the longstanding hydrogen embrittlement (HE) phenomenon in structural metals. Particularly with respect to hydrogen diffusion, dislocations have often been ...

Pergamon-Elsevier Science Ltd2024

Single-Walled Black Phosphorus Nanotube as a NO(2 )Gas Sensor

Pengfei Ou, Xiao Zhou, Cheng Chen

An ab initio density functional theory study on the candidacy of single-walled black phosphorus nanotubes (BPNTs) towards sensing several common toxic gas molecules (NH3, CO, NO, NO2, and SO2) was conducted. Various adsorption characteristics, including th ...

ELSEVIER2022

High throughput synthesis enabled exploration of CoCrFeNi-based high entropy alloys

William Curtin, Xiao Zhou

To accelerate the exploration, screening, and discovery of structural high-entropy alloys with targeted properties, the newly developed High-Throughput Hot-Isostatic-Pressing based Micro-Synthesis Approach (HT-HIP-MSA) is employed to efficiently synthesize ...

JOURNAL MATER SCI TECHNOL2022

Electric metal contacts to monolayer blue phosphorus: electronic and chemical properties

Pengfei Ou, Xiao Zhou, Cheng Chen

The contact nature when monolayer blue phosphorus (blueP) interfaces with three transition metal electrodes (i. e., Pd, Ir, and Pt) was unraveled by the ab initio density functional theory calculations. Specifically, n-type Schottky contact is observed for ...

ELSEVIER2022

Mechanism and Prediction of Hydrogen Embrittlement in fcc Stainless Steels and High Entropy Alloys

William Curtin, Ali Tehranchi, Xiao Zhou

The urgent need for clean energy coupled with the exceptional promise of hydrogen (H) as a clean fuel is driving development of new metals resistant to hydrogen embrittlement. Experiments on new fcc high entropy alloys present a paradox: these alloys absor ...

AMER PHYSICAL SOC2021

Improved thermal stability and fast phase change speed of Y-doped Sb7Se3 thin film for phase change memory applications

Xiao Zhou, Haitao Zhou

By combining experiments and first-principles calculations, Y-doped Sb7Se3 thin films were successfully fabricated and investigated. Our results suggest that Y is one promising dopant for simultaneously enhancing thermal stability, increasing phase change ...

ELSEVIER2020

Zn-doped Sb70Se30 thin films with multiple phase transition for high storage density and low power consumption phase change memory applications

Xiao Zhou, Haitao Zhou

The single layer Zn44Sb39Se17 thin film, being fabricated by Sb70Se30 and Zn using co-sputtering method, exhibits double phase change transition. The double phase change processes are mainly attributed to the crystallization of the Sb and ZnSb phases. The ...

PERGAMON-ELSEVIER SCIENCE LTD2020

First principles study of the effect of hydrogen in austenitic stainless steels and high entropy alloys

William Curtin, Xiao Zhou

Hydrogen (H) embrittlement in multicomponent austenitic alloys is a serious limitation to their application in many environments. Recent experiments show that the High-Entropy Alloy (HEA) CoCrFeMnNi absorbs more H than 304 Stainless Steel but is less prone ...

2020

A new variational line tension model for accurate evaluation of the stress effect on cross-slip energy barrier in face-centered cubic metals

Xiao Zhou, Hui Liu

The present work developed a new variational line tension model (LTM) that accounts for contributions from the local line energy, long-range interaction among dislocation segments, and interplay between dissociated partials. This new LTM has been shown to ...

2019

Reduction of Fermi level pinning at Cu-BP interfaces by atomic passivation

Pengfei Ou, Xiao Zhou, Cheng Chen

Black phosphorus (BP) is a semiconducting material with a direct finite band gap in its monolayer, attracting intense attention for its application in field-effect transistors. However, strong Fermi level pinning (FLP) has been observed for contacts betwee ...

2019

Single molybdenum center supported on N-doped black phosphorus as an efficient electrocatalyst for nitrogen fixation

Pengfei Ou, Xiao Zhou, Cheng Chen

Ammonia (NH3) is one of the most significant industrial chemical products due to its wide applications in various fields. However, the production of NH3 from the electrochemical nitrogen (N-2) reduction reaction (NRR) under ambient conditions is one of the ...

ROYAL SOC CHEMISTRY2019

Intrinsic Origin of Superior Catalytic Properties of Tungsten-based Catalysts in Dye-sensitized Solar Cells

Ulf Anders Hagfeldt, Yao Liu, Sining Yun, Xiao Zhou, Jing Li

To clarify the intrinsic factor of the superior catalytic activity of tungsten (W)-based catalysts in DSSCs, W-based compounds, including W18O49, W2N, WC, and WO3, were prepared as CEs and tested in I-/I-3(-) redox shuttle. A systematic investigation of th ...

Elsevier2017

Theoretical Treatment of CH3NH3PbI3 Perovskite Solar Cells

Ulf Anders Hagfeldt, Sining Yun, Xiao Zhou

Hybrid halide perovskite solar cells (PSCs) giving over 22% power conversion efficiencies (PCEs) have attracted considerable attention. Although perovskite plays a significant role in the operation of PSCs, the fundamental theories associated with perovski ...

Wiley-Blackwell2017

Atomistic investigation of the influence of hydrogen on dislocation nucleation during nanoindentation in Ni and Pd

William Curtin, Xiao Zhou

The effects of hydrogen charging on the mechanical response of FCC Ni and Pd under nanoindentation are systematically investigated by molecular dynamics simulations. Simulations consider a random H distribution and time scales prevent any diffusion of H du ...

Elsevier2016