Ultrahigh Carrier Mobility in the Two-Dimensional Semiconductors B8Si4, B8Ge4, and B8Sn4

Structure Prototype Outperforming MXenes in Stability and Performance in Metal‐Ion Batteries: A High Throughput Study

(2021) Minglei Sun et al.   Advanced Energy Materials

New Polymorphs of 2D Indium Selenide with Enhanced Electronic Properties

(2020) Yuanhui Sun et al.   ADVANCED FUNCTIONAL MATERIALS

Two-Dimensional PC6 with Direct Band Gap and Anisotropic Carrier Mobility

(2019) Tong Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Two-Dimensional Anti-Van’t Hoff/Le Bel Array AlB6 with High Stability, Unique Motif, Triple Dirac Cones, and Superconductivity

(2019) Bingyi Song et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Two-Dimensional Gold Sulfide Monolayers with Direct Band Gap and Ultrahigh Electron Mobility

(2019) Qisheng Wu et al.   Journal of Physical Chemistry Letters

2D Ca 3 Sn 2 S 7 Chalcogenide Perovskite: A Graphene‐Like Semiconductor with Direct Bandgap 0.5 eV and Ultrahigh Carrier Mobility 6.7 × 10 4 cm 2 V −1 s −1

(2019) Juan Du et al.   ADVANCED MATERIALS

2D GeP: An Unexploited Low-Symmetry Semiconductor with Strong In-Plane Anisotropy

(2018) Liang Li et al.   ADVANCED MATERIALS

GeP3: A Small Indirect Band Gap 2D Crystal with High Carrier Mobility and Strong Interlayer Quantum Confinement

(2017) Yu Jing et al.   NANO LETTERS

Passivation of Black Phosphorus via Self-Assembled Organic Monolayers by van der Waals Epitaxy

(2016) Yinghe Zhao et al.   ADVANCED MATERIALS

FeB6 Monolayers: The Graphene-like Material with Hypercoordinate Transition Metal

(2016) Haijun Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Booming Development of Group IV-VI Semiconductors: Fresh Blood of 2D Family

(2016) Xing Zhou et al.   Advanced Science

Two-dimensional semiconductors for transistors

(2016) Manish Chhowalla et al.   Nature Reviews Materials

Designing Isoelectronic Counterparts to Layered Group V Semiconductors

(2015) Zhen Zhu et al.   ACS Nano

Air-Stable Transport in Graphene-Contacted, Fully Encapsulated Ultrathin Black Phosphorus-Based Field-Effect Transistors

(2015) Ahmet Avsar et al.   ACS Nano

Atomically Thin Arsenene and Antimonene: Semimetal-Semiconductor and Indirect-Direct Band-Gap Transitions

(2015) Shengli Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structural and Electronic Properties of Layered Arsenic and Antimony Arsenide

(2015) Liangzhi Kou et al.   Journal of Physical Chemistry C

Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

(2015) A. J. Mannix et al.   SCIENCE

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

Theoretical predictions on the electronic structure and charge carrier mobility in 2D Phosphorus sheets

(2015) Jin Xiao et al.   Scientific Reports

Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility

(2014) Han Liu et al.   ACS Nano

Be2C Monolayer with Quasi-Planar Hexacoordinate Carbons: A Global Minimum Structure

(2014) Yafei Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Polarity-Reversed Robust Carrier Mobility in Monolayer MoS2 Nanoribbons

(2014) Yongqing Cai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus

(2014) Jingsi Qiao et al.   Nature Communications

Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene

(2014) Yongqing Cai et al.   Scientific Reports

Exploration of Structures of Two-Dimensional Boron–Silicon Compounds with sp2 Silicon

(2013) Jun Dai et al.   Journal of Physical Chemistry Letters

New developments in evolutionary structure prediction algorithm USPEX

(2012) Andriy O. Lyakhov et al.   COMPUTER PHYSICS COMMUNICATIONS

How Evolutionary Crystal Structure Prediction Works—and Why

(2011) Artem R. Oganov et al.   ACCOUNTS OF CHEMICAL RESEARCH

Electronic Structure and Carrier Mobility in Graphdiyne Sheet and Nanoribbons: Theoretical Predictions

(2011) Mengqiu Long et al.   ACS Nano

Predicting Two-Dimensional Boron–Carbon Compounds by the Global Optimization Method

(2011) Xinyu Luo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single-layer MoS2 transistors

(2011) B. Radisavljevic et al.   Nature Nanotechnology

Graphene transistors

(2010) Frank Schwierz   Nature Nanotechnology

Crystal structure prediction via particle-swarm optimization

(2010) Yanchao Wang et al.   PHYSICAL REVIEW B

Atomically ThinMoS2: A New Direct-Gap Semiconductor

(2010) Kin Fai Mak et al.   PHYSICAL REVIEW LETTERS

Ultrahigh electron mobility in suspended graphene

(2008) K.I. Bolotin et al.   SOLID STATE COMMUNICATIONS