Xinyi Li

ORCID: 0009-0002-3151-033X
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About
Contact & Profiles
Research Areas
  • Fuel Cells and Related Materials
  • Electrocatalysts for Energy Conversion
  • Catalytic Alkyne Reactions
  • Oxidative Organic Chemistry Reactions
  • Machine Learning in Materials Science
  • Advanced Photocatalysis Techniques
  • Synthetic Organic Chemistry Methods

Guilin University of Technology
2025

Harbin Normal University
2022-2023

University of California, Santa Barbara
2023

Low dimensional materials usually bring about unique physical properties and exceptional phenomena. Beyond the highly sought-after two-dimensional materials, quasi-one-dimensional (1D) have attracted increasing attention due to further reduced dimensionality resultant more pronounced quantum confinement effect. In present Letter, we systematically explore stability, mechanical properties, electronic structure, optical of 1D single-chain ternary bismuth subhalides Bi4RuX2 (X = I, Br) by...

10.1063/5.0267384 article EN Applied Physics Letters 2025-05-26

By employing a chiral bifunctional phosphine ligand, gold(I)-catalyzed efficient and highly enantioselective dearomatization of phenols is achieved via versatile metal-ligand cooperation. The reaction proven to be remarkably general in scope, permitting substitutions at all four remaining benzene positions, accommodating electron-withdrawing groups including strongly deactivating nitro, allowing carbon-based varying steric bulk tert-butyl the alkyne terminus. Moreover, besides...

10.1002/anie.202309256 article EN publisher-specific-oa Angewandte Chemie International Edition 2023-07-28

Abstract By employing a chiral bifunctional phosphine ligand, gold(I)‐catalyzed efficient and highly enantioselective dearomatization of phenols is achieved via versatile metal‐ligand cooperation. The reaction proven to be remarkably general in scope, permitting substitutions at all four remaining benzene positions, accommodating electron‐withdrawing groups including strongly deactivating nitro, allowing carbon‐based varying steric bulk tert ‐butyl the alkyne terminus. Moreover, besides N‐ (...

10.1002/ange.202309256 article EN Angewandte Chemie 2023-07-28

Searching for bifunctional oxygen electrocatalysts with good catalytic performance to promote the evolution/reduction reactions (OER/ORR) is of great significance development sustainable and renewable clean energy. Herein, we performed density functional theory (DFT) machine-learning (DFT-ML) hybrid computations investigate potential a series single transition metal atoms anchored on experimentally available MnPS3 monolayer (TM/MnPS3) as ORR/OER. The results revealed that interactions these...

10.2139/ssrn.4358190 article EN 2023-01-01

The development of highly-efficient bifunctional oxygen electrocatalysts is essential to the large-scale commercialization energy-related conversion and storage technologies. In this work, using first-principle computations, we systemically investigated catalytic activities a variety metal-N-C/MoS 2 heterostructures (M-N-C/MoS , M= Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd, Ag, Os, Ir, Pt) towards reduction/evolution reactions (ORR/OER). Our result revealed that these M-N-C/MoS exhibit good...

10.2139/ssrn.4145228 article EN SSRN Electronic Journal 2022-01-01
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