Z. Hou

发表

Bayesian optimization of chemical composition: A comprehensive framework and its application to RFe12 -type magnet compounds

T. Miyake, T. Fukazawa, Y. Harashima, 2019, Physical Review Materials.

Charge Compensation Mechanisms and Oxygen Vacancy Formations in LiNi1/3Co1/3Mn1/3O2: First-Principles Calculations

Shunqing Wu, Z. Hou, Xiao-Hong Shi, 2022, ACS omega.

Structure prediction of boron-doped graphene by machine learning.

K. Tsuda, Z. Hou, Thaer M. Dieb, 2018, The Journal of chemical physics.

Thermodynamic Stability Landscape of Halide Double Perovskites via High‐Throughput Computing and Machine Learning

Qichen Xu, Wan-Jian Yin, Zhufeng Hou, 2019, Advanced Functional Materials.

Bayesian Optimization in Materials Science

K. Tsuda, Z. Hou, Koji Tsuda, 2020 .

First‐principles study of the structural stability and electronic structures of TaN

Z. Hou, G. Yuan, C. Cao, 2008 .

Rational Design of Nanoporous MoS2 /VS2 Heteroarchitecture for Ultrahigh Performance Ammonia Sensors.

Y. Bando, Z. Hou, Y. Yamauchi, 2020, Small.

Bayesian optimization based on a unified figure of merit for accelerated materials screening: A case study of halide perovskites

Z. Hou, Zhenzhu Li, W. Yin, 2020, Science China Materials.

Hierarchical N-doped carbons from designed N-rich polymer: Adsorbents with a record-high capacity for desulfurization

Z. Hou, Linbing Sun, Ding-Ming Xue, 2018, AIChE Journal.

Structural stabilities, electronic structures and lithium deintercalation in LixMSiO4 (M = Mn, Fe, Co, Ni) : A GGA and GGA + U study

Yong Yang, Shunqing Wu, Z. Hou, 2009 .

Effects of Na-substitution on structural and electronic properties of Li2CoSiO4 cathode material

Yong Yang, Shunqing Wu, Z. Hou, 2009 .

Physical and chemical descriptors for predicting interfacial thermal resistance

Yibin Xu, Z. Hou, Yen‐Ju Wu, 2020, Scientific Data.

Stability Engineering of Halide Perovskite via Machine Learning

Z. Hou, Zhenzhu Li, W. Yin, 2018, 1803.06042.

Electronic and transport properties of graphene nanoribbons

Zhufeng Hou, Z. Hou, M. Yee, 2007, 2007 7th IEEE Conference on Nanotechnology (IEEE NANO).

NMR Chemical Shifts of 15N-Bearing Graphene

Z. Hou, K. Terakura, T. Ikeda, 2014 .

Theoretical characterization of X-ray absorption, emission, and photoelectron spectra of nitrogen doped along graphene edges.

M. Kakimoto, Z. Hou, K. Terakura, 2013, The journal of physical chemistry. A.

Li8MnO6: A Novel Cathode Material with Only Anionic Redox.

A. Stein, D. Truhlar, Z. Hou, 2022, ACS applied materials & interfaces.

Strength and bonding nature of superhard Z-carbon from first-principle study

Z. Hou, J. Qin, Xinyu Zhang, 2012 .

Effect of thermal-cycling on the piezoelectricity of 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 Pb-free piezoceramic

M. Guo, X. Ren, Z. Hou, 2020 .

Ab initio Calculations of the Formation Energies of Lithium Intercalations in SnSb

杨勇, Z. Hou, Zi-zhong Zhu, 2004 .

Metal-Organic Framework-Derived Graphene Mesh: a Robust Scaffold for Highly Exposed Fe-N4 Active Sites toward an Excellent Oxygen Reduction Catalyst in Acid Media.

Z. Hou, Y. Yamauchi, Wei Xia, 2022, Journal of the American Chemical Society.

Potential high-Tc superconductivity in YCeH and LaCeH under pressure

K. Hongo, Z. Hou, R. Maezono, 2022, Materials Today Physics.

Heusler alloy catalysts for electrochemical CO2 reduction.

Z. Hou, Ruikuan Xie, Guoliang Chai, 2022, The Journal of chemical physics.

Effects of Al addition on the native defects in hafnia

K. M. Koo, X. Gong, Z. Hou, 2005, cond-mat/0506683.

Stability Engineering of Halide Perovskite via Machine Learning

Z. Hou, Zhenzhu Li, W. Yin, 2018, 1803.06042.

Facet Engineering to Regulate Surface States of Topological Crystalline Insulator Bismuth Rhombic Dodecahedrons for Highly Energy Efficient Electrochemical CO2 Reduction

M. Titirici, Z. Hou, H. Weng, 2021, Advanced materials.

Electronic and magnetic properties of fluorinated graphene with different coverage of fluorine

Yong Yang, Z. Hou, Zi-zhong Zhu, 2012 .

Improved Catalytic Performance of Pd-Nay Zeolite by Tunning Al Distribution for the Synthesis of Dimethyl Carbonate

Z. Hou, Guoliang Chai, Jianshan Chen, 2022, SSRN Electronic Journal.

A Theoretical Investigation of the Structural Properties of Chemically Modified Mo-S-I Nanowires

Z. Hou, Shu-Hao Wen, G. He, 2010 .

Experimental Observation of Pressure-Induced Superconductivity in Layered Transition-Metal Chalcogenides (Zr,Hf)GeTe4 Explored by a Data-Driven Approach

Z. Hou, K. Terakura, H. Takeya, 2020, Chemistry of Materials.

Elastic anisotropy and phonon focusing in NiAl: Atomic study

Yanming Ma, Z. Hou, Hongzhi Fu, 2013 .

Two-Electron Oxygen Reduction on Carbon Materials Catalysts: Mechanisms and Active Sites

Z. Hou, K. Terakura, Guoliang Chai, 2017 .

Machine-learning-guided discovery of the gigantic magnetocaloric effect in HoB2 near the hydrogen liquefaction temperature

Takafumi D. Yamamoto, Z. Hou, H. Takeya, 2020, NPG Asia Materials.

Data-driven exploration for pressure-induced superconductors using diamond anvil cell with boron-doped diamond electrodes and undoped diamond insulating layer

Z. Hou, K. Terakura, M. Nagao, 2020 .

Data-driven exploration of new pressure-induced superconductivity in PbBi2Te4

Z. Hou, K. Terakura, M. Nagao, 2018, Science and technology of advanced materials.

Two pressure-induced superconducting transitions in SnBi2Se4 explored by data-driven materials search: new approach to developing novel functional materials including thermoelectric and superconducting materials

Z. Hou, K. Terakura, H. Hara, 2018, Applied Physics Express.

New Insight into the Ground State of FePc: A Diffusion Monte Carlo Study

K. Hongo, Z. Hou, R. Maezono, 2016, Scientific Reports.

Elastic properties and electronic structures of antiperovskite-type InNCo3 and InNNi3

Z. Hou, 2010 .

Realization of closed-loop optimization of epitaxial titanium nitride thin-film growth via machine learning

T. Chikyow, K. Tsuda, I. Ohkubo, 2021 .

Elastic properties and electronic structures of CdCNi3: A comparative study with MgCNi3

Shunqing Wu, Z. Hou, Zi-zhong Zhu, 2009 .

Machine-Learning-Assisted Development and Theoretical Consideration for the Al2Fe3Si3 Thermoelectric Material.

Yoshikazu Shinohara, Koji Tsuda, Yibin Xu, 2019, ACS applied materials & interfaces.

Effect of Al addition on the microstructure and electronic structure of HfO2 film

X. Gong, J. Dai, R. Egerton, 2007 .

Theoretical investigations on the elastic wave propagation and phonon focusing in AlLi crystal

Z. Hou, Hongzhi Fu, L. Yao, 2015 .

Acoustic waves and phonon focus in Li crystal: the first principle study

Yanming Ma, Z. Hou, Hongzhi Fu, 2014 .

Atomic Modulation of FeCo–Nitrogen–Carbon Bifunctional Oxygen Electrodes for Rechargeable and Flexible All‐Solid‐State Zinc–Air Battery

Wei Li, Nan Li, Hui Cheng, 2017 .

Functional Diversity Can Predict Ecosystem Functions Better Than Dominant Species: The Case of Desert Plants in the Ebinur Lake Basin

Z. Hou, Lamei Jiang, G. Lv, 2021, Sustainability.

Fe-Al-Si Thermoelectric (FAST) Materials and Modules: Diffusion Couple and Machine-Learning-Assisted Materials Development.

K. Tsuda, Z. Hou, Y. Takagiwa, 2021, ACS applied materials & interfaces.

First-principles study of electronic structures and elasticity of Al2Fe3Si3

K. Tsuda, Yibin Xu, Z. Hou, 2021, Journal of physics. Condensed matter : an Institute of Physics journal.

COMBO: An efficient Bayesian optimization library for materials science

Koji Tsuda, Tsuyoshi Ueno, Teruyasu Mizoguchi, 2016 .

Materials Informatics-Guided Superior Electrocatalyst: A Case of Pyrolysis-Free Single-Atom Coordinated with N-Graphene Nanomesh

Z. Hou, Y. Yamauchi, B. Han, 2021, Nano Energy.

Effect of single-hydrogen-induced out-of-plane passivation on plasmon excitation in nanostructured graphene

Z. Hou, Ding Zenghui, B. Da, 2021, Applied Surface Science.

Designing Nanostructures for Phonon Transport via Bayesian Optimization

Junichiro Shiomi, Lei Feng, Koji Tsuda, 2016, 1609.04972.

Designing Nanostructures for Interfacial Phonon Transport via Bayesian Optimization

Junichiro Shiomi, Lei Feng, Koji Tsuda, 2016 .

Elucidating the Influence of Sulfur Vacancies on Nonradiative Recombination Dynamics in Cu2ZnSnS4 Solar Absorbers.

Z. Hou, Wei Li, Jian-feng Tang, 2020, The journal of physical chemistry letters.

Active sites and mechanisms for oxygen reduction reaction on nitrogen-doped carbon alloy catalysts: Stone-Wales defect and curvature effect.

Z. Hou, K. Terakura, D. Shu, 2014, Journal of the American Chemical Society.

Interplay between Oxidized Monovacancy and Nitrogen Doping in Graphene

Z. Hou, K. Terakura, D. Shu, 2014 .

Weakening Intermediate Bindings on CuPd/Pd Core/shell Nanoparticles to Achieve Pt‐Like Bifunctional Activity for Hydrogen Evolution and Oxygen Reduction Reactions

Z. Hou, Hsing-lin Wang, Qing Li, 2021, Advanced Functional Materials.

Environmental filtration and dispersal limitation explain different aspects of beta diversity in desert plant communities

Jie Zhang, Z. Hou, Hengfang Wang, 2022, Global Ecology and Conservation.

Pyridinic nitrogen exclusively doped carbon materials as efficient oxygen reduction electrocatalysts for Zn-air batteries

Xiaodong Li, Z. Hou, Ze Yang, 2020 .

Graphdiyne Containing Atomically Precise N Atoms for Efficient Anchoring of Lithium Ion.

Xiaodong Li, Z. Hou, Kun Wang, 2019, ACS applied materials & interfaces.

Oxidizing Vacancies in Nitrogen‐Doped Carbon Enhance Air‐Cathode Activity

Yutao Li, J. Goodenough, P. Ajayan, 2018, Advanced materials.

Theoretical screening of VSe2 as support for enhanced electrocatalytic performance of transition-metal single atoms.

Z. Hou, Yu Wang, X. Gu, 2021, Journal of colloid and interface science.

Structural and electronic properties of cubic HfO2 surfaces

Z. Hou, X. Gong, G. Chen, 2008 .

MDTS: automatic complex materials design using Monte Carlo tree search

Koji Tsuda, Shenghong Ju, Junichiro Shiomi, 2017, Science and technology of advanced materials.

Epitaxial Growth of Rectangle Shape MoS2 with Highly Aligned Orientation on Twofold Symmetry a-Plane Sapphire.

Z. Hou, Hua Xu, T. Zhai, 2020, Small.

Density functional theory study of CH4 dissociation and C C coupling on W-terminated WC(0001) surface

Z. Hou, Ningjing Luo, Guoliang Chai, 2022, Applied Surface Science.

Pressure-induced superconductivity in SnSb2Te4

Z. Hou, H. Hara, H. Takeya, 2019, Journal of physics. Condensed matter : an Institute of Physics journal.

Ba6In6Zn4Se19: a high performance infrared nonlinear optical crystal with [InSe3]3− trigonal planar functional motifs

W. Cheng, Zhengxiao Guo, Z. Hou, 2020 .

Ab initio study on the structural and elastic properties of MAlSi (M=Ca, Sr, and Ba)

Shunqing Wu, Z. Hou, Zi-zhong Zhu, 2007 .

The Systematic Study on the Stability and Superconductivity of Y‐Mg‐H Compounds under High Pressure

K. Hongo, Z. Hou, R. Maezono, 2021, Advanced Theory and Simulations.

High-Tc Superconducting Hydrides Formed by LaH24 and YH24 Cage Structures as Basic Blocks

K. Hongo, Z. Hou, R. Maezono, 2021, Chemistry of Materials.

High-$T_c$ ternary metal hydrides, YKH$_{12}$ and LaKH$_{12}$, discovered by machine learning

K. Hongo, Z. Hou, R. Maezono, 2021, 2103.00193.

Data-driven Exploration of New Pressure-induced Superconductivity in PbBi$_2$Te$_4$ with Two Transition Temperatures

Z. Hou, K. Terakura, M. Nagao, 2018, 1808.07973.

Physical and chemical descriptors for predicting interfacial thermal resistance

Yibin Xu, Z. Hou, Yen‐Ju Wu, 2020, Scientific Data.

Efficient Optimization of the Performance of Mn 2+ ‐Doped Kesterite Solar Cell: Machine Learning Aided Synthesis of High Efficient Cu 2 (Mn,Zn)Sn(S,Se) 4 Solar Cells (Solar RRL 12∕2018)

Xiuling Li, Yun Sun, Wei Liu, 2018, Solar RRL.

Efficient Optimization of the Performance of Mn 2+ ‐Doped Kesterite Solar Cell: Machine Learning Aided Synthesis of High Efficient Cu 2 (Mn,Zn)Sn(S,Se) 4 Solar Cells

Yi Zhang, Wei Liu, Zhiqiang Zhou, 2018, Solar RRL.

Possible Oxygen Reduction Reactions for Graphene Edges from First Principles

Z. Hou, K. Terakura, Guoliang Chai, 2014 .

Ab Initio Simulation of Position-Dependent Electron Energy Loss and Its Application to the Plasmon Excitation of Nanographene

Z. Hou, Z. Ding, B. Da, 2019, The Journal of Physical Chemistry C.

High-Pressure Mg–Sc–H Phase Diagram and Its Superconductivity from First-Principles Calculations

K. Hongo, Z. Hou, R. Maezono, 2021, The Journal of Physical Chemistry C.

Breaking the scaling relations for oxygen reduction reaction on nitrogen-doped graphene by tensile strain

Z. Hou, K. Terakura, D. Shu, 2018, Carbon.

Porous hydrogen substituted graphyne for high capacity and ultra-stable sodium ion storage

Huanlei Wang, Xiaodong Li, Z. Hou, 2019, Journal of Materials Chemistry A.

Data integration for accelerated materials design via preference learning pdf

Koji Tsuda, Shinsuke Ishihara, Xiaolin Sun, 2019, New Journal of Physics.

Indirect Four-Electron Oxygen Reduction Reaction on Carbon Materials Catalysts in Acidic Solutions

W. Cheng, M. Boero, Z. Hou, 2017 .

Elastic properties of MBH4 (M=Na, K, Rb, Cs)

Z. Hou, Xiaodong Zhang, Zhenyi Jiang, 2011 .

First-principles study on the structural, elastic, and electronic properties of γ-LiAlO2

Shunqing Wu, Z. Hou, Zi-zhong Zhu, 2009 .

Effect of Nitrogen Doping on the Migration of the Carbon Adatom and Monovacancy in Graphene

Z. Hou, K. Terakura, 2015 .

Defect States Induced by Oxygen Vacancies in Cubic SrTiO3: First-Principles Calculations

Z. Hou, K. Terakura, 2010 .

Mo−S−I Nanowires: A Promising Anode Material for Lithium-Ion Batteries. A First-Principles Study

Keli Han, Z. Hou, Shu-Hao Wen, 2009 .

Ab initio calculations of the electronic structures of copper pyrites CuS2, CuSe2 and CuTe2

Z. Hou, Z. Z. Zhu, A. Y. Li, 2004 .

Establishment and validation of an electron inelastic mean free path database for narrow bandgap inorganic compounds with a machine learning approach.

Z. Hou, S. Tanuma, K. Nagata, 2023, Physical chemistry chemical physics : PCCP.

Unveiling the principle descriptor for predicting the electron inelastic mean free path based on a machine learning framework

Z. Hou, H. Yoshikawa, S. Tanuma, 2019, Science and technology of advanced materials.

Formation of oxygen vacancies in Li2FeSiO4: first-principles calculations.

Shunqing Wu, Z. Hou, Zizhong Zhu, 2021, Physical chemistry chemical physics : PCCP.

Sp-hybridized Nitrogen as New Anchoring Sites of Iron Single Atoms to Boost the Oxygen Reduction Reaction.

Z. Hou, Changshui Huang, Wenyan Si, 2022, Angewandte Chemie.

Effects of Y doping on the structural stability and defect properties of cubic HfO2

X. Gong, Z. Hou, Quan Li, 2008 .

Energetics and electronic structure of aluminum point defects in HfO2: A first-principles study

X. Gong, Z. Hou, Quan Li, 2009 .

Selective nitrogen doping in graphene: Enhanced catalytic activity for the oxygen reduction reaction

Kiyoyuki Terakura, Takashi Ikeda, Seizo Miyata, 2011 .

Machine learning approach for the prediction of electron inelastic mean free paths

Z. Ding, Z. Hou, S. Tanuma, 2021 .

Zinc‐Air Batteries: Atomic Modulation of FeCo–Nitrogen–Carbon Bifunctional Oxygen Electrodes for Rechargeable and Flexible All‐Solid‐State Zinc–Air Battery (Adv. Energy Mater. 13/2017)

Wei Li, Hong-Xing Zhang, Z. Hou, 2017 .

Identifying and Passivating Killer Defects in Pb-Free Double Cs2AgBiBr6 Perovskite.

Z. Hou, O. Prezhdo, Wei Li, 2021, The journal of physical chemistry letters.

Electronic structure of N-doped graphene with native point defects

M. Kakimoto, Z. Hou, K. Terakura, 2012, 1205.6575.

Interplay between nitrogen dopants and native point defects in graphene

S. Miyata, M. Kakimoto, Z. Hou, 2011, 1112.5733.

Measurement of the Low-Energy Electron Inelastic Mean Free Path in Monolayer Graphene

Z. Ding, K. Tsukagoshi, Jiangwei Liu, 2020 .

Identifying the Lewis Base Chemistry in Preventing the Deposition of Metal Oxide on Ketone-Enriched Carbon Cathode for Highly Durable Metal-Air Battery.

Mengfan Wang, Chenglin Yan, Z. Hou, 2019, ACS applied materials & interfaces.

Effects of Cu, N, and Li intercalation on the structural stability and electronic structure of cubic Cu3N

Z. Hou, 2008 .

Ab initio calculations of elastic modulus and electronic structures of cubic CaZrO3

Z. Hou, 2008 .

Influence of Encapsulated Water on Luminescence Energy, Line Width, and Lifetime of Carbon Nanotubes: Time Domain Ab Initio Analysis.

Z. Hou, O. Prezhdo, R. Long, 2018, The journal of physical chemistry letters.

Density functional calculations on atomic and electronic structures of amorphous HfO2/Si(001) interface

Guanhua Chen, X. Gong, Z. Hou, 2009 .

Anionic Oxygen Redox in the High-Lithium Material Li8SnO6

A. Stein, D. Truhlar, Z. Hou, 2021 .

Electronic structure and magnetic state of InCNi3InCNi3

Shunqing Wu, Z. Hou, Zi-zhong Zhu, 2008 .

Elasticity, electronic structure, and dielectric property of cubic SrHfO3 from first‐principles

Z. Hou, Z. Hou, 2009 .

Triazine-graphdiyne: A new nitrogen-carbonous material and its application as an advanced rechargeable battery anode

Jun Luo, Xiaodong Li, Z. Hou, 2018, Carbon.

Structure prediction of boron-doped graphene by machine learning.

Z. Hou, Thaer M. Dieb, Koji Tsuda, 2018, The Journal of chemical physics.

Active sites and mechanisms for oxygen reduction reaction on nitrogen-doped carbon alloy catalysts: Stone-Wales defect and curvature effect.

Z. Hou, K. Terakura, D. Shu, 2014, Journal of the American Chemical Society.

Elastic properties and electronic structures of antiperovskite-type InNCo3 and InNNi3

Z. Hou, 2010, 1002.1124.

The Relative Importance of Environmental Filtering and Dispersal Limitation on the Multidimensional Beta Diversity of Desert Plant Communities Depends on Sampling Scales

J. Zhang, Z. Hou, Lamei Jiang, 2023, Journal of Soil Science and Plant Nutrition.