卢成课题组

CoB6 monolayer: A robust two-dimensional ferromagnet

2019

期刊 Physical Review B

作者 Xiao Tang · Weiguo Sun · Yuantong Gu · Cheng Lu · Liangzhi Kou · Changfeng Chen

Exhaustive exploration of MgBn (n = 10–20) clusters and their anions

2019

期刊 Physical Chemistry Chemical Physics

作者 Yonghong Tian · Donghe Wei · Yuanyuan Jin · Jorge Barroso · Cheng Lu · Gabriel Merino

Exploration of high-pressure structural transition and electronic properties of BaFe2S3

2019

期刊 Journal of Physics: Condensed Matter

作者 Panlong Kong · Jingjing Wang · Yuanyuan Jin · Chuanzhao Zhang · Cheng Lu · Yonghong Tian · Haihua Chen

Exploring Physical Properties of Tantalum Carbide at High Pressure and Temperature

2019

期刊 Inorganic Chemistry

作者 Zhang Zhengang · Liang Hao · Chen Haihua* · Wang Juwei · Peng Fang · Lu Cheng

Micromechanism study on electronic and magnetic properties of silicene regulated by oxygen

2019

期刊 Journal of Materials Science & Technology

作者 Li-Ping Ding · Peng Shao · Lin-Tai Yang · Wei Guo Sun · Fang-Hui Zhang · Cheng Lu

NbB12−: a new member of half-sandwich type doped boron clusters with high stability

2019

期刊 Physical Chemistry Chemical Physics

作者 Mengxue Ren · Siyu Jin · Donghe Wei · Yuanyuan Jin · Yonghong Tian · Cheng Lu · Gennady L. Gutsev

New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd3+-Doped Y3Al5O12

2019

期刊 ACS Applied Materials & Interfaces

作者 Meng Ju · Yang Xiao · Mingmin Zhong · Weiguo Sun · Xinxin Xia · Yau-Yuen Yeung · Cheng Lu

Structural and Electronic Properties of Medium-Sized Aluminum-Doped Boron Clusters AlBn and Their Anions

2019

期刊 The Journal of Physical Chemistry C

作者 Siyu Jin · Bole Chen · Xiaoyu Kuang · Cheng Lu · Weiguo Sun · Xinxin Xia · Gennady L. Gutsev

Structural evolution and electronic properties of medium-sized boron clusters doped with scandium

2019

期刊 Journal of Physics: Condensed Matter

作者 Siyu Jin · Bole Chen · Xiaoyu Kuang · Cheng Lu · Gennady L. Gutsev

Deciphering the Microstructure and Energy-Level Splitting of Tm3+-Doped Yttrium Aluminum Garnet

2018

期刊 Inorganic Chemistry

作者 Meng Ju · Mingmin Zhong · Cheng Lu · Yau-Yuen Yeung

Geometric Structures and Electronic Properties of AlnV0/– (n = 5–14) Clusters: Photoelectron Spectroscopy and Theoretical Calculations

2018

期刊 The Journal of Physical Chemistry C

作者 Xinxin Xia · Zeng-Guang Zhang · Hong-Guang Xu · Xiling Xu · Xiaoyu Kuang · Cheng Lu · Weijun Zheng

High-Pressure Evolution of Crystal Bonding Structures and Properties of FeOOH

2018

期刊 The Journal of Physical Chemistry Letters

作者 Cheng Lu · Changfeng Chen

Insights into the effects produced by doping of medium-sized boron clusters with ruthenium

2018

期刊 Physical Chemistry Chemical Physics

作者 Bole Chen · Weiguo Sun · Xiaoyu Kuang · Cheng Lu · Xinxin Xia · Hongxiao Shi · Gennady L. Gutsev

Prediction of Molybdenum Nitride from First-Principle Calculations: Crystal Structures, Electronic Properties, and Hardness

2018

期刊 The Journal of Physical Chemistry C

作者 Li-Ping Ding · Peng Shao · Fang-Hui Zhang · Cheng Lu · Xiao-Fen Huang

Probing the Structural and Electronic Properties of Dirhenium Halide Clusters: A Density Functional Theory Study

2018

期刊 Scientific Reports

作者 Li Huan Zhang · Xin Xin Xia · Wei Guo Sun · Cheng Lu · Xiao Yu Kuang · Bo Le Chen · George Maroulis

Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework

2018

期刊 Physical Chemistry Chemical Physics

作者 Weiguo Sun · Xinxin Xia · Cheng Lu · Xiaoyu Kuang · Andreas Hermann

Probing the Structural Evolution and Stabilities of Medium-Sized MoBn0/– Clusters

2018

期刊 The Journal of Physical Chemistry C

作者 Peifang Li · Xindi Du · Jing Jing Wang · Cheng Lu · Haihua Chen

Rare Helium-Bearing Compound FeO2He Stabilized at Deep-Earth Conditions

2018

期刊 Physical Review Letters

作者 Jurong Zhang · Jian Lv · Hefei Li · Xiaolei Feng · Cheng Lu · Simon A. T. Redfern · Hanyu Liu · Changfeng Chen · Yanming Ma

Structural and electronic properties of MnSi under high pressure: A first-principles calculation

2018

期刊 Computational Materials Science

作者 Shihui Guo · Jiemin Wang · He Du · Cheng Lu · Chuanzhao Zhang · Zhiwen Lu

A detailed investigation into the geometric and electronic structures of CoBQn (n = 2–10, Q = 0, −1) clusters

2017

期刊 New Journal of Chemistry

作者 Peifang Li · Guoliang Sun · Jianping Bai · Weihua Wang · Gang Bao · Cheng Lu

Evolution of the Structural and Electronic Properties of Medium-Sized Sodium Clusters: A Honeycomb-Like Na20 Cluster

2017

期刊 Inorganic Chemistry

作者 Wei Guo Sun · Jing Jing Wang · Cheng Lu · Xin Xin Xia · Xiao Yu Kuang · Andreas Hermann

Iron-based magnetic superhalogens with pseudohalogens as ligands: An unbiased structure search

2017

期刊 Scientific Reports

作者 Li-Ping Ding · Peng Shao · Cheng Lu · Fang-Hui Zhang · Li Ya Wang

New insight into the structural evolution of PbTiO3: an unbiased structure search

2017

期刊 Physical Chemistry Chemical Physics

作者 Cheng Lu · Jingjing Wang · Ping Wang · Xinxin Xia · Yuanyuan Jin · Peifang Li · Gang Bao

Novel structural phases and the electrical properties of Si3B under high pressure

2017

期刊 Physical Chemistry Chemical Physics

作者 Jingjing Wang · Guoliang Sun · Panlong Kong · Weiguo Sun · Cheng Lu · Feng Peng · Xiaoyu Kuang

Prediction of hypervalent molecules: investigation on MnC (M = Li, Na, K, Rb and Cs; n = 1–8) clusters

2017

期刊 Physical Chemistry Chemical Physics

作者 Peng Shao · Bo Le Chen · Li-Ping Ding · Dao-Bin Luo · Cheng Lu · Xiao Yu Kuang

Prediction of Novel High-Pressure Structures of Magnesium Niobium Dihydride

2017

期刊 ACS Applied Materials & Interfaces

作者 Chuanzhao Zhang · Guoliang Sun · Jingjing Wang · Cheng Lu · Yuanyuan Jin · Xiaoyu Kuang · Andreas Hermann

Prediction of the Iron-Based Polynuclear Magnetic Superhalogens with Pseudohalogen CN as Ligands

2017

期刊 Inorganic Chemistry

作者 Li-Ping Ding · Peng Shao · Cheng Lu · Fang-Hui Zhang · Yun Liu · Qiang Mu

Probing the Interactions of O2 with Small Gold Cluster AunQ (n = 2–10, Q = 0, −1): A Neutral Chemisorbed Complex Au5O2 Cluster Predicted

2017

期刊 The Journal of Physical Chemistry C

作者 Hong Xiao Shi · Wei Guo Sun · Xiao Yu Kuang · Cheng Lu · Xin Xin Xia · Bo Le Chen · Andreas Hermann

Structural, electronic and elastic properties of the shape memory alloy NbRu: First-principle investigations

2017

期刊 Journal of Alloys and Compounds

作者 Peng Shao · Li-Ping Ding · Dao-Bin Luo · Jiang-Tao Cai · Cheng Lu · Xiao-Fen Huang

Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB12 – Cluster

2017

期刊 Inorganic Chemistry

作者 Bo Le Chen · Wei Guo Sun · Xiao Yu Kuang · Cheng Lu · Xin Xin Xia · Hong Xiao Shi · George Maroulis

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CoB6 monolayer: A robust two-dimensional ferromagnet

Exhaustive exploration of MgBn (n = 10–20) clusters and their anions

Exploration of high-pressure structural transition and electronic properties of BaFe2S3

Exploring Physical Properties of Tantalum Carbide at High Pressure and Temperature

Micromechanism study on electronic and magnetic properties of silicene regulated by oxygen

NbB12−: a new member of half-sandwich type doped boron clusters with high stability

New Theoretical Insights into the Crystal-Field Splitting and Transition Mechanism for Nd3+-Doped Y3Al5O12

Structural and Electronic Properties of Medium-Sized Aluminum-Doped Boron Clusters AlBn and Their Anions

Structural evolution and electronic properties of medium-sized boron clusters doped with scandium

Deciphering the Microstructure and Energy-Level Splitting of Tm3+-Doped Yttrium Aluminum Garnet

Geometric Structures and Electronic Properties of AlnV0/– (n = 5–14) Clusters: Photoelectron Spectroscopy and Theoretical Calculations

High-Pressure Evolution of Crystal Bonding Structures and Properties of FeOOH

Insights into the effects produced by doping of medium-sized boron clusters with ruthenium

Prediction of Molybdenum Nitride from First-Principle Calculations: Crystal Structures, Electronic Properties, and Hardness

Probing the Structural and Electronic Properties of Dirhenium Halide Clusters: A Density Functional Theory Study

Probing the structural and electronic properties of zirconium doped boron clusters: Zr distorted B12 ligand framework

Probing the Structural Evolution and Stabilities of Medium-Sized MoBn0/– Clusters

Rare Helium-Bearing Compound FeO2He Stabilized at Deep-Earth Conditions

Structural and electronic properties of MnSi under high pressure: A first-principles calculation

A detailed investigation into the geometric and electronic structures of CoBQn (n = 2–10, Q = 0, −1) clusters

Evolution of the Structural and Electronic Properties of Medium-Sized Sodium Clusters: A Honeycomb-Like Na20 Cluster

Iron-based magnetic superhalogens with pseudohalogens as ligands: An unbiased structure search

New insight into the structural evolution of PbTiO3: an unbiased structure search

Novel structural phases and the electrical properties of Si3B under high pressure

Prediction of hypervalent molecules: investigation on MnC (M = Li, Na, K, Rb and Cs; n = 1–8) clusters

Prediction of Novel High-Pressure Structures of Magnesium Niobium Dihydride

Prediction of the Iron-Based Polynuclear Magnetic Superhalogens with Pseudohalogen CN as Ligands

Probing the Interactions of O2 with Small Gold Cluster AunQ (n = 2–10, Q = 0, −1): A Neutral Chemisorbed Complex Au5O2 Cluster Predicted

Structural, electronic and elastic properties of the shape memory alloy NbRu: First-principle investigations

Structural Stability and Evolution of Medium-Sized Tantalum-Doped Boron Clusters: A Half-Sandwich-Structured TaB12 – Cluster