Publications

Selected publications by Hongli Guo and collaborators.

BiSe

Spin-resolved Dirac-like surface states on Bi1Se1

Spin-resolved surface states in Bi1Se1.

Physical Review B 113, 075411 (2026)
Black phosphorus

Ultrafast energizing the parity-forbidden dark exciton in black phosphorus

Ultrafast dynamics of a parity-forbidden dark exciton in black phosphorus.

Nature Communications 16, 3992 (2025)
Carrier dynamics

Small twist angles accelerate electron and hole transfer in MoSe2/WSe2 heterostructures

How small twist angles accelerate charge transfer in MoSe2/WSe2 heterostructures.

ACS Nano 19, 12138–12145 (2025)
Moiré exciton

Strong interlayer coupling in twisted transition metal dichalcogenide moiré superlattices

Interlayer coupling in twisted transition-metal dichalcogenide moiré superlattices.

Advanced Materials 35, 2210909 (2023)
Black phosphorus

Pseudo-heterostructure and condensation of 1D moiré excitons in twisted phosphorene bilayers

A first-principles route to one-dimensional moiré-exciton condensation.

Science Advances 9, eadi5404 (2023)
Moiré exciton

Tuning moiré excitons in Janus heterobilayers for high-temperature Bose–Einstein condensation

Tunable moiré excitons for high-temperature Bose–Einstein condensation.

Science Advances 8, eabp9757 (2022)
Magnetism

Photoinduced evolution of lattice orthorhombicity and conceivably enhanced ferromagnetism in LaMnO3 membranes

Photoinduced lattice evolution and enhanced ferromagnetism in LaMnO3 membranes.

npj Quantum Materials 7, 47 (2022)
NAMD

Investigation of ab initio nonadiabatic molecular dynamics of excited carriers in condensed matter systems

A review of ab initio nonadiabatic molecular dynamics for excited carriers in condensed matter.

Acta Physica Sinica 70, 177101 (2021)
Black phosphorus

Strong modulation of band gap, carrier mobility and lifetime in two-dimensional black phosphorene through acoustic phonon excitation

Acoustic-phonon control of electronic properties in black phosphorene.

Nano Letters 21, 3981–3988 (2021)
Moiré exciton

Moiré excitons in defective van der Waals heterostructures

First-principles analysis of moiré excitons in defective van der Waals heterostructures.

PNAS 118, e2105468118 (2021)
Black phosphorus

Tuning the carrier lifetime in black phosphorene through family atom doping

Carrier-lifetime control in black phosphorene through atom doping.

The Journal of Physical Chemistry Letters 11, 4662–4667 (2020)
Moiré exciton

Shedding light on moiré excitons: A first-principles perspective

A first-principles perspective on moiré excitons.

Science Advances 6, eabc5638 (2020)
NAMD

Ab initio nonadiabatic molecular dynamics investigations on the excited carriers in condensed matter systems

A review of ab initio nonadiabatic molecular dynamics for excited carriers in condensed matter.

WIREs Computational Molecular Science 9, e1411 (2019)
STM

Realizing nearly-free-electron-like conduction band in a molecular film through mediating intermolecular van der Waals interactions

Mediating intermolecular van der Waals interactions to realize nearly-free-electron-like bands.

Nature Communications 10, 3374 (2019)
Black phosphorus

Linear scanning tunneling spectroscopy over a large energy range in black phosphorus

Large-energy-range linear scanning tunneling spectroscopy of black phosphorus.

Journal of Applied Physics 124, 045301 (2018)
Heterostructure

Tuning solvated electrons by polar-nonpolar oxide heterostructure

Polar-nonpolar oxide heterostructures for tuning solvated electrons.

The Journal of Physical Chemistry Letters 9, 3049–3056 (2018)
Carrier dynamics

Superatom molecular orbital as an interfacial charge separation state

A superatom molecular orbital as an interfacial charge-separation state.

The Journal of Physical Chemistry Letters 9, 3485–3490 (2018)
Perovskites

Strain-induced high-temperature perovskite ferromagnetic insulator

A strain-induced high-temperature perovskite ferromagnetic insulator.

PNAS 115, 2873–2877 (2018)
Heterostructure

Nano-scale polar-nonpolar oxide heterostructures for photocatalysis

Polar-nonpolar oxide heterostructures for photocatalysis.

Nanoscale 8, 6057–6063 (2016)