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List of works by Shilie Pan

A Fluorooxosilicophosphate with an Unprecedented SiO2 F4 Species

scientific article published on 03 July 2018

A Member of Fluorooxoborates: Li2Na0.9K0.1B5O8F2 with the Fundamental Building Block B5O10F2 and a Short Cutoff Edge.

scientific article published on 2 January 2018

A New Deep-Ultraviolet Transparent Orthophosphate LiCs2PO4 with Large Second Harmonic Generation Response

scientific article published on 18 July 2016

A Promising Fluorooxoborate Framework with Flexibile Capability for Diverse Cations to Enhance the Second Harmonic Generation

scientific article published on 27 February 2020

A review of the ABIICIVD family as infrared nonlinear optical materials: the effect of each site on the structure and optical properties

scientific article published on 16 September 2020

A3Sr2P7O21 (A = Rb, Cs): Two Polyphosphates Based on Different Types of P-O Chains and Ring Structures.

scientific article

ASrMS (A = Li, Na; M = Ge, Sn) concurrently exhibiting wide bandgaps and good nonlinear optical responses as new potential infrared nonlinear optical materials

article

Advantageous Units in Antimony Sulfides: Exploration and Design of Infrared Nonlinear Optical Materials

scientific article published on 24 July 2018

Al8(BO3)4(B2O5)F8: A F-Containing Aluminum Borate Featuring Two Types of Isolated B-O Groups

scientific article published on 26 December 2019

Application of the dimensional reduction formalism to Pb9-xBax[Li2(P2O7)2(P4O13)2] (x = 0, 2, 6, 7): a series of phosphates with two types of isolated polyphosphate groups.

scientific article published on 23 March 2017

Ba(B2OF3(OH)2)2 with well-ordered OH/F anions and a unique B2OF3(OH)2 dimer

scientific article published on 01 March 2020

Ba3B10O17F2·0.1KF: the first mixed alkali/alkaline-earth metal fluorooxoborate with unprecedented double-layered B-O/F anionic arrangement

scientific article published on 08 July 2019

BaB2 O3 F2 : A Barium Fluorooxoborate with a Unique 2∞ [B2 O3 F]- Layer and Short Cutoff Edge

scientific article published on 25 April 2019

BaBOF3: a new aurivillius-like borate containing two types of F atoms.

scientific article published on 20 March 2018

BaGeO3: A Mid-IR Transparent Crystal with Superstrong Raman Response

scientific article published on 25 February 2020

BaMg(BO)F polymorphs with reversible phase transition and high performances as ultraviolet nonlinear optical materials

scientific article published in Nature Communications

Band-Gap Modulation of Nonlinear-Optical Fluorooxoborates by Controlling the F/B Ratios

scientific article published on 14 January 2020

Be2CO3F2 Monolayer: A Flexible Ultraviolet Nonlinear Optical Material via Rational Design

scientific article published on 23 May 2019

Borates: A Rich Source for Optical Materials

scientific article published on 13 December 2020

CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances

scientific article published on 17 April 2018

Cation Modulation on the Crystal Structure and Band Gap of Fluorooxoborates A3B3O3F6 (A = Alkali and Mixed Alkali Metal)

scientific article published on 18 September 2019

Cation-Tuned Synthesis of Fluorooxoborates: Towards Optimal Deep-Ultraviolet Nonlinear Optical Materials

scientific article published on 8 January 2018

Ce(IO3)2F2·H2O: The First Rare Earth Iodate Fluoride with Large Second Harmonic Generation Response

scientific article published on 07 January 2019

ChemInform Abstract: Synthesis and Structure of KPbBP<sub>2</sub>O<sub>8</sub>- A Congruent Melting Borophosphate with Nonlinear Optical Properties.

scientific article published in 2013

Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.

scientific article

Computer-Assisted Design of a Superior Be2BO3F Deep-Ultraviolet Nonlinear-Optical Material.

scientific article published on 27 April 2018

Cs2B4SiO9: A Deep‐Ultraviolet Nonlinear Optical Crystal ⬇️

scientific article published on February 13, 2013

Cs3B3O3F6 with a Deep-Ultraviolet Cutoff Edge and a Suitable Birefringence as the Potential Zero-Order Waveplate Material

scientific article published on 11 September 2020

Cs3Zn6B9O21: a chemically benign member of the KBBF family exhibiting the largest second harmonic generation response.

scientific article

Cs<sub>2</sub>AlB<sub>5</sub>O<sub>10</sub>: a short-wavelength nonlinear optical crystal with moderate second harmonic generation response

scientific article published on 05 January 2021

CsB4 O6 F: A Congruent-Melting Deep-Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units.

scientific article published on 12 September 2017

CsB<sub>4</sub>O<sub>6</sub>F: A Congruent-Melting Deep-Ultraviolet Nonlinear Optical Material by Combining Superior Functional Units

scientific article published in 2017

DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals: Choice for Better Anion.

scientific article published on 27 April 2017

Deep-Ultraviolet Nonlinear-Optical Material K3Sr3Li2Al4B6O20F: Addressing the Structural Instability Problem in KBe2BO3F2.

scientific article published on 25 July 2017

Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides.

scientific article published on 2 June 2017

Designing Deep-UV Birefringent Crystals by Cation Regulation

scientific article published on 25 July 2018

Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution

scientific article published on 04 March 2019

Designing a deep-ultraviolet nonlinear optical material with a large second harmonic generation response.

scientific article

Designing an Excellent Deep-Ultraviolet Birefringent Material for Light Polarization

scientific article published on 12 November 2018

Effect of Element Substitution on Structural Transformation and Optical Performances in I2BaMIVQ4 ( I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se)

scientific article published on 06 March 2018

Effect of anion dimensionality on optical properties: the ∞[B7O10(OH)2] layer in CsB7O10(OH)2vs. the ∞[B7O12] framework in CsBaB7O12

scientific article published on 08 January 2020

Enhanced optical anisotropy via dimensional control in alkali-metal chalcogenides

scientific article published on 24 August 2020

Enhancing optical anisotropy of crystals by optimizing bonding electron distribution in anionic groups

scientific article

Experiment and First-Principles Calculations of A2Mg2TeB2O10 (A = Pb, Ba): Influences of the Cosubstitution on the Structure Transformation and Optical Properties

scientific article published on 29 July 2019

Finding the Next Deep-Ultraviolet Nonlinear Optical Material: NH4B4O6F.

scientific article

Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials

scientific article published on 18 October 2018

From LiB O to NaRbB O F : Fluorine-Directed Evolution of Structural Chemistry

scientific article published on 04 June 2018

Intriguing Structural Transition Inducing Variable Birefringences in ABa2MS4Cl (A = Rb, Cs; M = Ge, Sn)

scientific article published on 24 August 2018

K3 B6 O9 F3 : A New Fluorooxoborate with Four Different Anionic Units.

scientific article published on 24 February 2018

K4(PO2F2)2(S2O7): first fluorooxophosphorsulfate with mixed-anion [S2O7]2- and [PO2F2]- groups

scientific article published on 24 November 2020

K9[B4O5(OH)4]3(CO3)X·7H2O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate-Carbonates with Short UV Cutoff Edges

scientific article published on 01 May 2019

Li2 BaSc(BO3 )2 F and LiBa2 Pb(BO3 )2 F with Layered Structures featuring Special Li-O/F Configurations

scientific article published on 12 October 2018

Li4Ca2B8O16: A Borate with a Unique Fundamental Building Block and a Short Cutoff Edge

scientific article published on 01 June 2020

LiBa2MIIIQ4 (MIII = Al, Ga, In; Q = S, Se): A Series of Metal Chalcogenides with a Structural Transition

scientific article published on 12 September 2019

LiBa4Ga5Q12 (Q = S, Se): Noncentrosymmetric Metal Chalcogenides with a Cesium Chloride Topological Structure Displaying a Remarkable Laser Damage Threshold

scientific article published on 04 April 2020

LiNa4B15O25: Featuring Unprecedented B15O30 Fundamental Building Block and Deep-UV Cutoff Edge

scientific article published on 14 February 2018

Linear-to-λ-Shape P-O-P Bond Transmutation in Polyphosphates with Infinite (PO3)∞ Chain

scientific article published on 15 August 2017

MIMIIP3O9 (MI = Rb, MII = Cd, Mg, Ca; MI = Cs, MII = Pb, Sr; MI = K, MII = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties

scientific article published on 30 May 2018

Metallacrown-based compartments: selective encapsulation of three isonicotinate anions in non-centrosymmetric solids

scientific article published on 10 January 2007

Mo6+ Cation Enrichment of the Structure Chemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO2)2(IO3)4O, Ba3[(MoO2)2(IO3)4O(OH)4]·2H2O, and Sr[(MoO2)6(IO4)2O4]·H2O

scientific article published on 19 July 2018

Module-Guided Design Scheme for Deep-Ultraviolet Nonlinear Optical Materials

scientific article published on 14 August 2018

Na2B6O9F2: A Fluoroborate with Short Cutoff Edge and Deep-Ultraviolet Birefringent Property Prepared by an Open High-Temperature Solution Method.

scientific article

Na2CdGe2Q6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses

scientific article

Na8MB21O36 (M = Rb and Cs): Noncentrosymmetric Borates with Unprecedented [B21O36]9- Fundamental Building Blocks.

scientific article published on 24 April 2017

NaCa5BO3(SiO4)2 with Interesting Isolated [BO3] and [SiO4] Units in Alkali- and Alkaline-Earth-Metal Borosilicates

scientific article published on 04 March 2019

NaRb3B6O9(OH)3(HCO3): A Borate-Bicarbonate Nonlinear Optical Material

scientific article published on 17 December 2019

New Compressed Chalcopyrite-like Li2BaMIVQ4 (MIV = Ge, Sn; Q = S, Se): Promising Infrared Nonlinear Optical Materials.

scientific article

Noncentrosymmetric Fluorooxoborates A10B13O15F19 (A = K and Rb) with Unexpected [B10O12F13]7- Units and Deep-Ultraviolet Cutoff Edges

scientific article published on 10 February 2020

Nontoxic KBBF Family Member Zn2BO3(OH): Balance between Beneficial Layered Structure and Layer Tendency

scientific article published on 16 September 2019

Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups

scientific article published on 20 July 2015

Polar Fluorooxoborate, NaB4 O6 F: A Promising Material for Ionic Conduction and Nonlinear Optics.

scientific article published on 17 April 2018

Prediction and Characterization of NaGaS2, A High Thermal Conductivity Mid-Infrared Nonlinear Optical Material for High-Power Laser Frequency Conversion

scientific article published on 15 June 2018

Prediction of Fluorooxoborates with Colossal Second Harmonic Generation (SHG) Coefficients and Extremely Wide Band Gaps: Towards Modulating Properties by Tuning the BO3 /BO3 F Ratio in Layers

scientific article published on 15 July 2019

Prediction of ternary fluorooxoborates with coplanar triangular units [BOxF3-x]x- from first-principles

scientific article published on 14 April 2020

Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li2Na2B2O5 Material with an Unvalued B2O5 Functional Gene

scientific article published on 01 February 2019

Rb3BaTeB7O15: a novel [B7O16] fundamental building block in a new telluroborate with [TeO3] polyhedra

scientific article published on 19 June 2020

RbB3O4F2: a rubidium fluorooxoborate with an unprecedented [B3O5F2]3- functionalized unit and a large birefringence

scientific article published on 23 November 2020

Sn2 B5 O9 Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline-Earth-Metal Substitution by Tin

scientific article published on 04 October 2019

Sn<sub>3</sub>B<sub>8</sub>O<sub>15</sub>: A Ternary Tin(II) Borate with Flexible [B<sub>8</sub>O<sub>18</sub>]<sup>12-</sup> Fundamental Building Block Formed by [B<sub>7</sub>O<sub>16</sub>]<sup>11-</sup> and [BO<sub>3</sub>]<sup>3-</sup> Groups

scientific article published on 29 December 2020

SrB5 O7 F3 Functionalized with [B5 O9 F3 ]6- Chromophores: Accelerating the Rational Design of Deep-Ultraviolet Nonlinear Optical Materials.

scientific article published on 2 March 2018

Structural Diversity of Molybdate Iodate and Fluoromolybdate: Syntheses, Structures, and Calculations on Na3(MoO4)(IO3) and Na3Cs(MoO2F4)2

scientific article published on 13 February 2020

Structural Insights into Borates with an Anion-Templated Open-Framework Configuration: Asymmetric K2 BaB16 O26 versus Centrosymmetric K3 CsB20 O32 and Na2 M2 NB18 O30 (M=Rb, Cs; N=Ba, Pb).

scientific article published on 21 July 2017

Structural insights into three phosphates with distinct polyanionic configurations

scientific article published on 21 August 2019

Structural modulation induced by MIIIA metals in Ba3MQ4X (M = Al, Ga, In; Q = S, Se; X = Cl, Br): an experimental and computational analysis

scientific article published on 07 August 2019

Structure and magnetic properties of Pb2Cu3B4O11: a new copper borate featuring [Cu3O8]10- units

scientific article published on 12 April 2007

Synthesis, crystal structure, and nonlinear optical properties of Li6CuB4O10: a congruently melting compound with isolated [CuB4O10]6- units

scientific article published on 01 September 2006

Targeting the Next Generation of Deep-Ultraviolet Nonlinear Optical Materials: Expanding from Borates to Borate Fluorides to Fluorooxoborates

scientific article published on 22 February 2019

The First Examples of Lithium-Containing Mixed-Alkali Strontium Borates with Different Dimensional Anionic Architectures and Short Cutoff Edges

scientific article published on 10 September 2018

The Rubidium Barium Borate Resulting from BO Fundamental Building Block Exhibits DUV Cutoff Edge

scientific article published on 12 October 2018

The first quaternary diamond-like semiconductor with 10-membered LiS4 rings exhibiting excellent nonlinear optical performances.

scientific article

Three Mixed-Alkaline Borates: Na2M2B20O32 (M = Rb, Cs) with Two Interpenetrating Three-Dimensional B-O Networks and Li4Cs4B40O64 with Fundamental Building Block B40O77.

scientific article published on 9 October 2017

Three diphosphates, α-Li2Na2P2O7, Li8Pb3Ba(P2O7)4 and Li7Rb(P2O7)2: influences of co-substitution on the crystal structure

scientific article published on 06 May 2020

Three new phosphates, Cs8Pb4(P2O7)4, CsLi7(P2O7)2 and LiCa(PO3)3: structural comparison, characterization and theoretical calculation

scientific article published on 30 May 2019

Transformation of the B-O Units from Corner-Sharing to Edge-Sharing Linkages in BaMBO4 (M = Ga, Al)

scientific article published on 04 June 2019

Two Lanthanide Borate Chlorides LnB4O6(OH)2Cl (Ln = La, Ce) with Wide Ultraviolet Transmission Windows and Large Second-Harmonic Generation Responses

scientific article published on 14 November 2018

Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO2F2)4 (A = NH4 and K) with moderate birefringence and short cutoff edges

scientific article published on 10 August 2020

ZnIO3F: Zinc Iodate Fluoride with Large Birefringence and Wide Band Gap

scientific article published on 19 March 2020

β-CsB9 O14 : A Triple-Layered Borate with Edge-Sharing BO4 Tetrahedra Exhibiting a Short Cutoff Edge and a Large Birefringence

scientific article published on 10 July 2019

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